CS-1001683
(αS,βS)-β-(2,5-Difluorophenyl)-β-hydroxy-α-methyl-1H-1,2,4-triazole-1-butanoic acid
Manufacturer: ChemScene
CAS Number: 1558817-06-3
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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
C₁₃H₁₃F₂N₃O₃
Molecular Weight
297.26
Synonyms
None
SMILES
[C@@](CN1C=NC=N1)([C@@H](C(O)=O)C)(O)C2=C(F)C=CC(F)=C2
Tpsa
88.24
Logp
1.1648
H Acceptors
5
H Donors
2
Rotatable Bonds
5
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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: C₁₃H₁₃F₂N₃O₃
Molecular Weight: 297.26
Synonyms: None
SMILES: [C@@](CN1C=NC=N1)([C@@H](C(O)=O)C)(O)C2=C(F)C=CC(F)=C2
Tpsa: 88.24
Logp: 1.1648
H Acceptors: 5
H Donors: 2
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:
C₁₃H₁₃F₂N₃O₃
Molecular Weight:
297.26
Synonyms:
None
SMILES:
[C@@](CN1C=NC=N1)([C@@H](C(O)=O)C)(O)C2=C(F)C=CC(F)=C2
Tpsa:
88.24
Logp:
1.1648
H Acceptors:
5
H Donors:
2
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: C₅₈H₇₄N₂O₁₅S
Molecular Weight: 1071.28
Synonyms: None
SMILES: O=C(OCCCCCOC(=O)CC[N+]1(C)CCC2=CC(OC)=C(OC)C=C2C1CC3=CC=C(OC)C(OC)=C3)CCN4CCC5=CC(OC)=C(OC)C=C5C4CC6=CC=C(OC)C(OC)=C6.O=S(=O)([O-])C=1C=CC=CC1
Tpsa: 186.88
Logp: 8.5116
H Acceptors: 16
H Donors: 0
Rotatable Bonds: 25
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₅₈H₇₄N₂O₁₅S
Molecular Weight:
1071.28
Synonyms:
None
SMILES:
O=C(OCCCCCOC(=O)CC[N+]1(C)CCC2=CC(OC)=C(OC)C=C2C1CC3=CC=C(OC)C(OC)=C3)CCN4CCC5=CC(OC)=C(OC)C=C5C4CC6=CC=C(OC)C(OC)=C6.O=S(=O)([O-])C=1C=CC=CC1
Tpsa:
186.88
Logp:
8.5116
H Acceptors:
16
H Donors:
0
Rotatable Bonds:
25
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₂₀O₂
Molecular Weight: 220.31
Synonyms: None
SMILES: C(=C(/C(OCC)OCC)\C)\C1=CC=CC=C1
Tpsa: 18.46
Logp: 3.489
H Acceptors: 2
H Donors: 0
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:
C₁₄H₂₀O₂
Molecular Weight:
220.31
Synonyms:
None
SMILES:
C(=C(/C(OCC)OCC)\C)\C1=CC=CC=C1
Tpsa:
18.46
Logp:
3.489
H Acceptors:
2
H Donors:
0
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: C₁₀H₁₈O₄
Molecular Weight: 202.25
Synonyms: None
SMILES: [C@@H](CC(OC)=O)(CC(C)C)CC(O)=O
Tpsa: 63.6
Logp: 1.6865
H Acceptors: 3
H Donors: 1
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:
C₁₀H₁₈O₄
Molecular Weight:
202.25
Synonyms:
None
SMILES:
[C@@H](CC(OC)=O)(CC(C)C)CC(O)=O
Tpsa:
63.6
Logp:
1.6865
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
6