CS-1000413
Ursodeoxycholic Acid Impurity 41
Manufacturer: ChemScene
CAS Number: 110107-03-4
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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
C₂₄H₃₈O₄
Molecular Weight
390.56
Synonyms
None
SMILES
C[C@@]12[C@]([C@]3([C@@]([C@]4(C)[C@](C[C@H]3O)(C[C@H](O)CC4)[H])(CC1)[H])[H])(CC[C@@]2([C@@H](/C=C/C(O)=O)C)[H])[H]
Tpsa
77.76
Logp
4.2539
H Acceptors
3
H Donors
3
Rotatable Bonds
3
SAFETY INFORMATION
ghsPictogramUrl
https://dev-s3.chemscene.com/web-image/physicalization/irritant.svg
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: C₂₄H₃₈O₄
Molecular Weight: 390.56
Synonyms: None
SMILES: C[C@@]12[C@]([C@]3([C@@]([C@]4(C)[C@](C[C@H]3O)(C[C@H](O)CC4)[H])(CC1)[H])[H])(CC[C@@]2([C@@H](/C=C/C(O)=O)C)[H])[H]
Tpsa: 77.76
Logp: 4.2539
H Acceptors: 3
H Donors: 3
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₄H₃₈O₄
Molecular Weight:
390.56
Synonyms:
None
SMILES:
C[C@@]12[C@]([C@]3([C@@]([C@]4(C)[C@](C[C@H]3O)(C[C@H](O)CC4)[H])(CC1)[H])[H])(CC[C@@]2([C@@H](/C=C/C(O)=O)C)[H])[H]
Tpsa:
77.76
Logp:
4.2539
H Acceptors:
3
H Donors:
3
Rotatable Bonds:
3
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₁₄N₄OS
Molecular Weight: 214.29
Synonyms: None
SMILES: O=C1C(=NN(C(=S)N1N)C)C(C)(C)C
Tpsa: 65.84
Logp: 0.32259
H Acceptors: 6
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:
C₈H₁₄N₄OS
Molecular Weight:
214.29
Synonyms:
None
SMILES:
O=C1C(=NN(C(=S)N1N)C)C(C)(C)C
Tpsa:
65.84
Logp:
0.32259
H Acceptors:
6
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: C₂₃H₃₂N₄O₇Si
Molecular Weight: 504.61
Synonyms: None
SMILES: [C@@H](O[Si](C(C)(C)C)(C)C)(C)[C@@]1([C@@]([C@H](C(C(C(OCC2=CC=C(N(=O)=O)C=C2)=O)=[N+]=[N-])=O)C)(NC1=O)[H])[H]
Tpsa: 161.24
Logp: 3.0389
H Acceptors: 7
H Donors: 1
Rotatable Bonds: 10
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₃H₃₂N₄O₇Si
Molecular Weight:
504.61
Synonyms:
None
SMILES:
[C@@H](O[Si](C(C)(C)C)(C)C)(C)[C@@]1([C@@]([C@H](C(C(C(OCC2=CC=C(N(=O)=O)C=C2)=O)=[N+]=[N-])=O)C)(NC1=O)[H])[H]
Tpsa:
161.24
Logp:
3.0389
H Acceptors:
7
H Donors:
1
Rotatable Bonds:
10
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₁₅NO₅S
Molecular Weight: 273.31
Synonyms: None
SMILES: [C@H](NS(CC)(=O)=O)(CC1=CC=C(O)C=C1)C(O)=O
Tpsa: 103.7
Logp: 0.3272
H Acceptors: 4
H Donors: 3
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:
C₁₁H₁₅NO₅S
Molecular Weight:
273.31
Synonyms:
None
SMILES:
[C@H](NS(CC)(=O)=O)(CC1=CC=C(O)C=C1)C(O)=O
Tpsa:
103.7
Logp:
0.3272
H Acceptors:
4
H Donors:
3
Rotatable Bonds:
6