AV18353
1445949-65-4 | RAcemic-(1S,3S,4R,6S)-2-Benzyl 3-Ethyl 6-Hydroxy-2-Azabicyclo[2.2.1]Heptane-2,3-Dicarboxylate
Manufacturer: A2B Chem
CAS Number: 1445949-65-4
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Catalog Number
AV18353
Chemical Name
RAcemic-(1S,3S,4R,6S)-2-Benzyl 3-Ethyl 6-Hydroxy-2-Azabicyclo[2.2.1]Heptane-2,3-Dicarboxylate
Cas Number
1445949-65-4
Molecular Formula
C17H21NO5
Molecular Weight
319.3523
Mdl Number
MFCD28390405
Smiles
CCOC(=O)[C@@H]1C2C[C@@H](C(N1C(=O)OCc1ccccc1)C2)O
Complexity
448
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
2
Heavy Atom Count
23
Hydrogen Bond Acceptor Count
5
Hydrogen Bond Donor Count
1
Rotatable Bond Count
6
Undefined Atom Stereocenter Count
2
Xlogp3
1.9
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 2-Benzyl 3-ethyl (1S,3S,4R,6S)-6-hydroxy-2-azabicyclo[2.2.1]heptane-2,3-dicarboxylate | ChemScene | ₹ 1,04,896.56 |
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Catalog Number: AV18353
Chemical Name: RAcemic-(1S,3S,4R,6S)-2-Benzyl 3-Ethyl 6-Hydroxy-2-Azabicyclo[2.2.1]Heptane-2,3-Dicarboxylate
Cas Number: 1445949-65-4
Molecular Formula: C17H21NO5
Molecular Weight: 319.3523
Mdl Number: MFCD28390405
Smiles: CCOC(=O)[C@@H]1C2C[C@@H](C(N1C(=O)OCc1ccccc1)C2)O
Complexity: 448
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 2
Heavy Atom Count: 23
Hydrogen Bond Acceptor Count: 5
Hydrogen Bond Donor Count: 1
Rotatable Bond Count: 6
Undefined Atom Stereocenter Count: 2
Xlogp3: 1.9
Catalog Number:
AV18353
Chemical Name:
RAcemic-(1S,3S,4R,6S)-2-Benzyl 3-Ethyl 6-Hydroxy-2-Azabicyclo[2.2.1]Heptane-2,3-Dicarboxylate
Cas Number:
1445949-65-4
Molecular Formula:
C17H21NO5
Molecular Weight:
319.3523
Mdl Number:
MFCD28390405
Smiles:
CCOC(=O)[C@@H]1C2C[C@@H](C(N1C(=O)OCc1ccccc1)C2)O
Complexity:
448
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Rotatable Bond Count:
6
Undefined Atom Stereocenter Count:
2
Xlogp3:
1.9
Catalog Number: __
Chemical Name: __
Cas Number: __
Molecular Formula: __
Molecular Weight: __
Mdl Number: __
Smiles: CCCCCCCC(=O)c1c(O)cc(cc1CC(=O)OCC)O
Complexity: 368
Covalently-Bonded Unit Count: __
Defined Atom Stereocenter Count: __
Heavy Atom Count: __
Hydrogen Bond Acceptor Count: __
Hydrogen Bond Donor Count: __
Rotatable Bond Count: __
Undefined Atom Stereocenter Count: __
Xlogp3: 4.6
Catalog Number:
__
Chemical Name:
__
Cas Number:
__
Molecular Formula:
__
Molecular Weight:
__
Mdl Number:
__
Smiles:
CCCCCCCC(=O)c1c(O)cc(cc1CC(=O)OCC)O
Complexity:
368
Covalently-Bonded Unit Count:
__
Defined Atom Stereocenter Count:
__
Heavy Atom Count:
__
Hydrogen Bond Acceptor Count:
__
Hydrogen Bond Donor Count:
__
Rotatable Bond Count:
__
Undefined Atom Stereocenter Count:
__
Xlogp3:
4.6
Catalog Number: AV18355
Chemical Name: Methyl benzyloxycarbamate
Cas Number: 5555-71-5
Molecular Formula: C9H11NO3
Molecular Weight: 181.1885
Mdl Number: MFCD00027807
Smiles: COC(=O)NOCc1ccccc1
Complexity: 155
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: __
Heavy Atom Count: 13
Hydrogen Bond Acceptor Count: 3
Hydrogen Bond Donor Count: 1
Rotatable Bond Count: 4
Undefined Atom Stereocenter Count: __
Xlogp3: 1.5
Catalog Number:
AV18355
Chemical Name:
Methyl benzyloxycarbamate
Cas Number:
5555-71-5
Molecular Formula:
C9H11NO3
Molecular Weight:
181.1885
Mdl Number:
MFCD00027807
Smiles:
COC(=O)NOCc1ccccc1
Complexity:
155
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
__
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Rotatable Bond Count:
4
Undefined Atom Stereocenter Count:
__
Xlogp3:
1.5
Catalog Number: __
Chemical Name: __
Cas Number: __
Molecular Formula: __
Molecular Weight: __
Mdl Number: __
Smiles: Cc1cc(nc2n1ncc2)C(=O)OC
Complexity: 234
Covalently-Bonded Unit Count: __
Defined Atom Stereocenter Count: __
Heavy Atom Count: __
Hydrogen Bond Acceptor Count: __
Hydrogen Bond Donor Count: __
Rotatable Bond Count: __
Undefined Atom Stereocenter Count: __
Xlogp3: 0.9
Catalog Number:
__
Chemical Name:
__
Cas Number:
__
Molecular Formula:
__
Molecular Weight:
__
Mdl Number:
__
Smiles:
Cc1cc(nc2n1ncc2)C(=O)OC
Complexity:
234
Covalently-Bonded Unit Count:
__
Defined Atom Stereocenter Count:
__
Heavy Atom Count:
__
Hydrogen Bond Acceptor Count:
__
Hydrogen Bond Donor Count:
__
Rotatable Bond Count:
__
Undefined Atom Stereocenter Count:
__
Xlogp3:
0.9