CS-0914140
sodium (R,Z)-2-((1S,2R)-1-carboxylato-2-hydroxypropyl)-5-(4- hydroxybutylidene)-2,5-dihydrothiazole-4-carboxylate
Manufacturer: ChemScene
CAS Number: 130609-10-8
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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
C₁₂H₁₇NNaO₆S
Molecular Weight
326.32
Synonyms
None
SMILES
[C@H]([C@@H](C)O)(C(O)=O)[C@@]1(N=C(C(O)=O)\C(=C\CCCO)\S1)[H].[Na]
Tpsa
127.42
Logp
-0.0579
H Acceptors
6
H Donors
4
Rotatable Bonds
7
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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: C₁₂H₁₇NNaO₆S
Molecular Weight: 326.32
Synonyms: None
SMILES: [C@H]([C@@H](C)O)(C(O)=O)[C@@]1(N=C(C(O)=O)\C(=C\CCCO)\S1)[H].[Na]
Tpsa: 127.42
Logp: -0.0579
H Acceptors: 6
H Donors: 4
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:
C₁₂H₁₇NNaO₆S
Molecular Weight:
326.32
Synonyms:
None
SMILES:
[C@H]([C@@H](C)O)(C(O)=O)[C@@]1(N=C(C(O)=O)\C(=C\CCCO)\S1)[H].[Na]
Tpsa:
127.42
Logp:
-0.0579
H Acceptors:
6
H Donors:
4
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: C₂₂H₁₉F₄N₇O
Molecular Weight: 473.43
Synonyms: None
SMILES: FC1=CC=C(C(F)=C1)C(O)(CN2N=CN=C2)C(C=3N=CN=C(C3F)C(C=4N=CN=CC4F)C)C
Tpsa: 102.5
Logp: 3.2578
H Acceptors: 8
H Donors: 1
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:
C₂₂H₁₉F₄N₇O
Molecular Weight:
473.43
Synonyms:
None
SMILES:
FC1=CC=C(C(F)=C1)C(O)(CN2N=CN=C2)C(C=3N=CN=C(C3F)C(C=4N=CN=CC4F)C)C
Tpsa:
102.5
Logp:
3.2578
H Acceptors:
8
H Donors:
1
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: C₁₆H₁₄F₃N₅O
Molecular Weight: 349.31
Synonyms: None
SMILES: [C@]([C@@H](C)C=1C(F)=CN=CN1)(CN2C=NC=N2)(O)C3=C(F)C=C(F)C=C3
Tpsa: 76.72
Logp: 2.1769
H Acceptors: 6
H Donors: 1
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:
C₁₆H₁₄F₃N₅O
Molecular Weight:
349.31
Synonyms:
None
SMILES:
[C@]([C@@H](C)C=1C(F)=CN=CN1)(CN2C=NC=N2)(O)C3=C(F)C=C(F)C=C3
Tpsa:
76.72
Logp:
2.1769
H Acceptors:
6
H Donors:
1
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: C₆H₆ClFN₂O
Molecular Weight: 176.58
Synonyms: None
SMILES: FC=1C(Cl)=NC=NC1C(O)C
Tpsa: 46.01
Logp: 1.3224
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₆H₆ClFN₂O
Molecular Weight:
176.58
Synonyms:
None
SMILES:
FC=1C(Cl)=NC=NC1C(O)C
Tpsa:
46.01
Logp:
1.3224
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
1