CS-1002319
Obeticholic Acid Impurity 42
Manufacturer: ChemScene
CAS Number: 1908444-27-8
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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
C₂₆H₄₂O₄
Molecular Weight
418.61
Synonyms
None
SMILES
C[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3)[C@@]([C@@H](CCC(O)=O)C)(CC4)[H])[H])([C@H](O)C(=CC)[C@@]1(C[C@H](O)CC2)[H])[H])[H]
Tpsa
77.76
Logp
5.0341
H Acceptors
3
H Donors
3
Rotatable Bonds
4
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 1908444-27-8 | 6-Vinyl Chenodeoxycholic Acid | A2B Chem | -- |
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: C₂₆H₄₂O₄
Molecular Weight: 418.61
Synonyms: None
SMILES: C[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3)[C@@]([C@@H](CCC(O)=O)C)(CC4)[H])[H])([C@H](O)C(=CC)[C@@]1(C[C@H](O)CC2)[H])[H])[H]
Tpsa: 77.76
Logp: 5.0341
H Acceptors: 3
H Donors: 3
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₆H₄₂O₄
Molecular Weight:
418.61
Synonyms:
None
SMILES:
C[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3)[C@@]([C@@H](CCC(O)=O)C)(CC4)[H])[H])([C@H](O)C(=CC)[C@@]1(C[C@H](O)CC2)[H])[H])[H]
Tpsa:
77.76
Logp:
5.0341
H Acceptors:
3
H Donors:
3
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₂₂ClN₃O
Molecular Weight: 271.79
Synonyms: None
SMILES: Cl.O=C(NCCN(CC)CC)C=1C=CC=CC1N
Tpsa: 58.36
Logp: 1.7622
H Acceptors: 3
H Donors: 2
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₂₂ClN₃O
Molecular Weight:
271.79
Synonyms:
None
SMILES:
Cl.O=C(NCCN(CC)CC)C=1C=CC=CC1N
Tpsa:
58.36
Logp:
1.7622
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
6
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₁₇NO₂
Molecular Weight: 171.24
Synonyms: None
SMILES: O1CC1CN(CC2OC2)C(C)C
Tpsa: 28.3
Logp: 0.4944
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₁₇NO₂
Molecular Weight:
171.24
Synonyms:
None
SMILES:
O1CC1CN(CC2OC2)C(C)C
Tpsa:
28.3
Logp:
0.4944
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
5
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₁H₄₃N₅O₇
Molecular Weight: 477.60
Synonyms: None
SMILES: O([C@@H]1[C@@H](O)[C@H](O[C@H]2O[C@H](CNCC)CC[C@H]2N)[C@@H](N)C[C@H]1N)[C@@H]3[C@H](O)[C@@H](NC)[C@@](C)(O)CO3
Tpsa: 199.73
Logp: -3.3259
H Acceptors: 12
H Donors: 8
Rotatable Bonds: 8
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₁H₄₃N₅O₇
Molecular Weight:
477.60
Synonyms:
None
SMILES:
O([C@@H]1[C@@H](O)[C@H](O[C@H]2O[C@H](CNCC)CC[C@H]2N)[C@@H](N)C[C@H]1N)[C@@H]3[C@H](O)[C@@H](NC)[C@@](C)(O)CO3
Tpsa:
199.73
Logp:
-3.3259
H Acceptors:
12
H Donors:
8
Rotatable Bonds:
8