CS-1001637
Bempedoic Acid Impurity 21
Manufacturer: ChemScene
CAS Number: 1529323-27-0
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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
C₉H₁₈O₃
Molecular Weight
174.24
Synonyms
None
SMILES
O=C(O)C(C)(C)CCCCCO
Tpsa
57.53
Logp
1.6499
H Acceptors
2
H Donors
2
Rotatable Bonds
6
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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: C₉H₁₈O₃
Molecular Weight: 174.24
Synonyms: None
SMILES: O=C(O)C(C)(C)CCCCCO
Tpsa: 57.53
Logp: 1.6499
H Acceptors: 2
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:
C₉H₁₈O₃
Molecular Weight:
174.24
Synonyms:
None
SMILES:
O=C(O)C(C)(C)CCCCCO
Tpsa:
57.53
Logp:
1.6499
H Acceptors:
2
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: C₁₁H₁₈N₄O₅
Molecular Weight: 286.28
Synonyms: None
SMILES: O=C(O)CN(CC(=O)N)CC(N1CC(=O)NC(=O)C1)C
Tpsa: 133.04
Logp: -2.7948
H Acceptors: 6
H Donors: 3
Rotatable Bonds: 7
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₁₈N₄O₅
Molecular Weight:
286.28
Synonyms:
None
SMILES:
O=C(O)CN(CC(=O)N)CC(N1CC(=O)NC(=O)C1)C
Tpsa:
133.04
Logp:
-2.7948
H Acceptors:
6
H Donors:
3
Rotatable Bonds:
7
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₅H₉NO₃S
Molecular Weight: 163.19
Synonyms: None
SMILES: [C@H](CSC(C)=O)(C(O)=O)N
Tpsa: 80.39
Logp: -0.322
H Acceptors: 4
H Donors: 2
Rotatable Bonds: 3
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₅H₉NO₃S
Molecular Weight:
163.19
Synonyms:
None
SMILES:
[C@H](CSC(C)=O)(C(O)=O)N
Tpsa:
80.39
Logp:
-0.322
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
3
Purity: ≥95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₁₃I₂NO₅
Molecular Weight: 517.05
Synonyms: None
SMILES: C([C@H](NC(C)=O)C(O)=O)C1=CC(I)=C(OC(C)=O)C(I)=C1
Tpsa: 92.7
Logp: 1.9529
H Acceptors: 4
H Donors: 2
Rotatable Bonds: 5
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₃I₂NO₅
Molecular Weight:
517.05
Synonyms:
None
SMILES:
C([C@H](NC(C)=O)C(O)=O)C1=CC(I)=C(OC(C)=O)C(I)=C1
Tpsa:
92.7
Logp:
1.9529
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
5