CS-0016558
tert-Butyl (3aR,4S,7aR)-4-hydroxy-4-(m-tolylethynyl)octahydro-1H-indole-1-carboxylate
Manufacturer: ChemScene
CAS Number: 543910-55-0
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Purity
98%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₂₂H₂₉NO₃
Molecular Weight
355.47
Synonyms
None
SMILES
O[C@]1(C#CC2=CC(C)=CC=C2)[C@H](CCN3C(OC(C)(C)C)=O)[C@H]3CCC1
Tpsa
49.77
Logp
3.88712
H Acceptors
3
H Donors
1
Rotatable Bonds
0
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 543910-55-0 | (3aR,4S,7aR)-Octahydro-4-hydroxy-4-[2-(3-methylphenyl)ethynyl]-1H-indole-1-carboxylic acid tert-butyl ester | A2B Chem | -- |
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SAFETY INFORMATION
Pictograms
Signal Word
Warning
UN Number
N/A
Class
N/A
Packing Group
N/A
Hazard Statements
Precautionary Statements
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₂H₂₉NO₃
Molecular Weight: 355.47
Synonyms: None
SMILES: O[C@]1(C#CC2=CC(C)=CC=C2)[C@H](CCN3C(OC(C)(C)C)=O)[C@H]3CCC1
Tpsa: 49.77
Logp: 3.88712
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₂H₂₉NO₃
Molecular Weight:
355.47
Synonyms:
None
SMILES:
O[C@]1(C#CC2=CC(C)=CC=C2)[C@H](CCN3C(OC(C)(C)C)=O)[C@H]3CCC1
Tpsa:
49.77
Logp:
3.88712
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
0
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₂H₂₉NO₃
Molecular Weight: 355.47
Synonyms: None
SMILES: O[C@]1(C#CC2=CC(C)=CC=C2)[C@H](CCN3C(OC(C)(C)C)=O)[C@H]3CCC1.[rel]
Tpsa: 49.77
Logp: 4.52322
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₂H₂₉NO₃
Molecular Weight:
355.47
Synonyms:
None
SMILES:
O[C@]1(C#CC2=CC(C)=CC=C2)[C@H](CCN3C(OC(C)(C)C)=O)[C@H]3CCC1.[rel]
Tpsa:
49.77
Logp:
4.52322
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
0
Purity: 97%
MDL No: MFCD30609552
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₇H₂₈N₄O₅
Molecular Weight: 368.43
Synonyms: (2S,5R)-2-carbamoyl-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl sulfate
SMILES: O=C([C@H](CC[C@@]1([H])N2O)[N@@](C1)C2=O)NC3CCN(C(OC(C)(C)C)=O)CC3
Tpsa: 102.42
Logp: 1.1599
H Acceptors: 5
H Donors: 2
Rotatable Bonds: 2
Purity:
97%
MDL No:
MFCD30609552
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₇H₂₈N₄O₅
Molecular Weight:
368.43
Synonyms:
(2S,5R)-2-carbamoyl-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl sulfate
SMILES:
O=C([C@H](CC[C@@]1([H])N2O)[N@@](C1)C2=O)NC3CCN(C(OC(C)(C)C)=O)CC3
Tpsa:
102.42
Logp:
1.1599
H Acceptors:
5
H Donors:
2
Rotatable Bonds:
2
Purity: 98%
MDL No: MFCD08692497
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₁₇NO₃
Molecular Weight: 235.28
Synonyms: (2-OXO-2-PHENYL-ETHYL)-CARBAMIC ACID TERT-BUTYL ESTER
SMILES: O=C(C1=CC=CC=C1)CNC(OC(C)(C)C)=O
Tpsa: 55.4
Logp: 2.394
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 3
Purity:
98%
MDL No:
MFCD08692497
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₇NO₃
Molecular Weight:
235.28
Synonyms:
(2-OXO-2-PHENYL-ETHYL)-CARBAMIC ACID TERT-BUTYL ESTER
SMILES:
O=C(C1=CC=CC=C1)CNC(OC(C)(C)C)=O
Tpsa:
55.4
Logp:
2.394
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
3