AA88481
165947-48-8 | 5-(tert-Butoxycarbonyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AA88481
ChemicalName
5-(tert-Butoxycarbonyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxylic acid
CasNumber
165947-48-8
MolecularFormula
C13H17NO4S
MolecularWeight
283.3434
MdlNumber
MFCD08448165
Smiles
O=C(N1CCc2c(C1)cc(s2)C(=O)O)OC(C)(C)C
Complexity
379
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
2.2
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CatalogNumber: AA88481
ChemicalName: 5-(tert-Butoxycarbonyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxylic acid
CasNumber: 165947-48-8
MolecularFormula: C13H17NO4S
MolecularWeight: 283.3434
MdlNumber: MFCD08448165
Smiles: O=C(N1CCc2c(C1)cc(s2)C(=O)O)OC(C)(C)C
Complexity: 379
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2.2
CatalogNumber:
AA88481
ChemicalName:
5-(tert-Butoxycarbonyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxylic acid
CasNumber:
165947-48-8
MolecularFormula:
C13H17NO4S
MolecularWeight:
283.3434
MdlNumber:
MFCD08448165
Smiles:
O=C(N1CCc2c(C1)cc(s2)C(=O)O)OC(C)(C)C
Complexity:
379
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2.2
CatalogNumber: AA88482
ChemicalName: Boc-n-methyl-tranexamic acid
CasNumber: 165947-29-5
MolecularFormula: C14H25NO4
MolecularWeight: 271.3526
MdlNumber: MFCD06656432
Smiles: O=C(OC(C)(C)C)CNC[C@@H]1CC[C@H](CC1)C(=O)O
Complexity: 327
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: 2.1
CatalogNumber:
AA88482
ChemicalName:
Boc-n-methyl-tranexamic acid
CasNumber:
165947-29-5
MolecularFormula:
C14H25NO4
MolecularWeight:
271.3526
MdlNumber:
MFCD06656432
Smiles:
O=C(OC(C)(C)C)CNC[C@@H]1CC[C@H](CC1)C(=O)O
Complexity:
327
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
2.1
CatalogNumber: AA88483
ChemicalName: 3,3-Diethoxy-1-propylboronic acid pinacol ester
CasNumber: 165904-27-8
MolecularFormula: C13H27BO4
MolecularWeight: 258.1621
MdlNumber: MFCD03788723
Smiles: CCOC(CCB1OC(C(O1)(C)C)(C)C)OCC
Complexity: 233
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 7
Xlogp3: __
CatalogNumber:
AA88483
ChemicalName:
3,3-Diethoxy-1-propylboronic acid pinacol ester
CasNumber:
165904-27-8
MolecularFormula:
C13H27BO4
MolecularWeight:
258.1621
MdlNumber:
MFCD03788723
Smiles:
CCOC(CCB1OC(C(O1)(C)C)(C)C)OCC
Complexity:
233
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
7
Xlogp3:
__
CatalogNumber: AA88484
ChemicalName: 2-Phenylethylboronic acid, pinacol ester
CasNumber: 165904-22-3
MolecularFormula: C14H21BO2
MolecularWeight: 232.12634000000003
MdlNumber: MFCD03788721
Smiles: CC1(C)OB(OC1(C)C)CCc1ccccc1
Complexity: 241
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 3
Xlogp3: __
CatalogNumber:
AA88484
ChemicalName:
2-Phenylethylboronic acid, pinacol ester
CasNumber:
165904-22-3
MolecularFormula:
C14H21BO2
MolecularWeight:
232.12634000000003
MdlNumber:
MFCD03788721
Smiles:
CC1(C)OB(OC1(C)C)CCc1ccccc1
Complexity:
241
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
3
Xlogp3:
__