CS-0914003
1-((2R,3R)-3-(4-(4-cyanophenyl)thiazol-2-yl)-2-(2,5-difluorophenyl)-2-hydroxybutyl)-4-(1-(((3-(hydroxymethyl)pyridin-2-yl)(methyl)carbamoyl)oxy)ethyl)-1H-1,2,4-triazol-4-ium chloride
Manufacturer: ChemScene
CAS Number: 2761502-58-1
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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
C₃₂H₃₀F₂N₇O₄S+
Molecular Weight
646.69
Synonyms
None
SMILES
[C@@]([C@@H](C)C1=NC(=CS1)C2=CC=C(C#N)C=C2)(CN3C=[N+](C(OC(N(C)C4=C(CO)C=CC=N4)=O)C)C=N3)(O)C5=C(F)C=CC(F)=C5
Tpsa
141.27
Logp
4.81428
H Acceptors
10
H Donors
2
Rotatable Bonds
10
Related Products
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: C₃₂H₃₀F₂N₇O₄S+
Molecular Weight: 646.69
Synonyms: None
SMILES: [C@@]([C@@H](C)C1=NC(=CS1)C2=CC=C(C#N)C=C2)(CN3C=[N+](C(OC(N(C)C4=C(CO)C=CC=N4)=O)C)C=N3)(O)C5=C(F)C=CC(F)=C5
Tpsa: 141.27
Logp: 4.81428
H Acceptors: 10
H Donors: 2
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:
C₃₂H₃₀F₂N₇O₄S+
Molecular Weight:
646.69
Synonyms:
None
SMILES:
[C@@]([C@@H](C)C1=NC(=CS1)C2=CC=C(C#N)C=C2)(CN3C=[N+](C(OC(N(C)C4=C(CO)C=CC=N4)=O)C)C=N3)(O)C5=C(F)C=CC(F)=C5
Tpsa:
141.27
Logp:
4.81428
H Acceptors:
10
H Donors:
2
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: C₈H₈N₂O₃S
Molecular Weight: 212.23
Synonyms: None
SMILES: O=S(O)C1=NC=2C=CC(OC)=CC2N1
Tpsa: 75.21
Logp: 1.1521
H Acceptors: 3
H Donors: 2
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₈N₂O₃S
Molecular Weight:
212.23
Synonyms:
None
SMILES:
O=S(O)C1=NC=2C=CC(OC)=CC2N1
Tpsa:
75.21
Logp:
1.1521
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
2
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₄₇H₆₀FN₃O₈
Molecular Weight: 813.99
Synonyms: None
SMILES: C(NC1=CC=CC=C1)(=O)C=2C(=C(N(CC[C@H](C[C@H](CC(NCC[C@@H]3C[C@H](CC(OC(C)(C)C)=O)OC(C)(C)O3)=O)O)O)C2C(C)C)C4=CC=C(F)C=C4)C5=CC=CC=C5
Tpsa: 148.35
Logp: 8.3773
H Acceptors: 9
H Donors: 4
Rotatable Bonds: 17
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄₇H₆₀FN₃O₈
Molecular Weight:
813.99
Synonyms:
None
SMILES:
C(NC1=CC=CC=C1)(=O)C=2C(=C(N(CC[C@H](C[C@H](CC(NCC[C@@H]3C[C@H](CC(OC(C)(C)C)=O)OC(C)(C)O3)=O)O)O)C2C(C)C)C4=CC=C(F)C=C4)C5=CC=CC=C5
Tpsa:
148.35
Logp:
8.3773
H Acceptors:
9
H Donors:
4
Rotatable Bonds:
17
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₇H₄₂F₂N₂O₅
Molecular Weight: 632.74
Synonyms: None
SMILES: C(NC1=CC=CC=C1)(=O)C=2C(=C(N(CC[C@H](C[C@H](CC(OC(C)(C)C)=O)O)O)C2C(C)C)C3=CC=C(F)C=C3)C4=CC=C(F)C=C4
Tpsa: 100.79
Logp: 7.7098
H Acceptors: 6
H Donors: 3
Rotatable Bonds: 12
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₇H₄₂F₂N₂O₅
Molecular Weight:
632.74
Synonyms:
None
SMILES:
C(NC1=CC=CC=C1)(=O)C=2C(=C(N(CC[C@H](C[C@H](CC(OC(C)(C)C)=O)O)O)C2C(C)C)C3=CC=C(F)C=C3)C4=CC=C(F)C=C4
Tpsa:
100.79
Logp:
7.7098
H Acceptors:
6
H Donors:
3
Rotatable Bonds:
12