CS-0914431
2-(2-(((benzyloxy)carbonyl)amino)thiazol-4-yl)acetic acid
Manufacturer: ChemScene
CAS Number: 381721-84-2
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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
C₁₃H₁₂N₂O₄S
Molecular Weight
292.31
Synonyms
None
SMILES
O=C(O)CC=1N=C(SC1)NC(=O)OCC=2C=CC=CC2
Tpsa
88.52
Logp
2.5189
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: C₁₃H₁₂N₂O₄S
Molecular Weight: 292.31
Synonyms: None
SMILES: O=C(O)CC=1N=C(SC1)NC(=O)OCC=2C=CC=CC2
Tpsa: 88.52
Logp: 2.5189
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:
C₁₃H₁₂N₂O₄S
Molecular Weight:
292.31
Synonyms:
None
SMILES:
O=C(O)CC=1N=C(SC1)NC(=O)OCC=2C=CC=CC2
Tpsa:
88.52
Logp:
2.5189
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: C₂₈H₂₄N₂O₄S
Molecular Weight: 484.57
Synonyms: None
SMILES: C(OC(C1=CC=CC=C1)C2=CC=CC=C2)(=O)C=3N4[C@@]([C@H](NC(CC5=CC=CC=C5)=O)C4=O)(SCC3)[H]
Tpsa: 75.71
Logp: 3.8457
H Acceptors: 5
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:
C₂₈H₂₄N₂O₄S
Molecular Weight:
484.57
Synonyms:
None
SMILES:
C(OC(C1=CC=CC=C1)C2=CC=CC=C2)(=O)C=3N4[C@@]([C@H](NC(CC5=CC=CC=C5)=O)C4=O)(SCC3)[H]
Tpsa:
75.71
Logp:
3.8457
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
7
Purity: ≥95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₈H₂₆N₂O₅S
Molecular Weight: 502.58
Synonyms: None
SMILES: C(OC(C1=CC=CC=C1)C2=CC=CC=C2)(=O)C3N4[C@@]([C@H](NC(CC5=CC=CC=C5)=O)C4=O)(SCC3O)[H]
Tpsa: 95.94
Logp: 2.6913
H Acceptors: 6
H Donors: 2
Rotatable Bonds: 7
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₈H₂₆N₂O₅S
Molecular Weight:
502.58
Synonyms:
None
SMILES:
C(OC(C1=CC=CC=C1)C2=CC=CC=C2)(=O)C3N4[C@@]([C@H](NC(CC5=CC=CC=C5)=O)C4=O)(SCC3O)[H]
Tpsa:
95.94
Logp:
2.6913
H Acceptors:
6
H Donors:
2
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: C₅₁H₅₆N₁₂O₁₄S₆
Molecular Weight: 1253.45
Synonyms: None
SMILES: C(OCOC(C(C)(C)C)=O)(=O)C=1N2[C@@]([C@H](NC(/C(=N\OC)/C=3N=C(NCNC4=NC(\C(\C(N[C@H]5[C@@]6(N(C5=O)C(C(OCOC(C(C)(C)C)=O)=O)=C(/C=C\C7=C(C)N=CS7)CS6)[H])=O)=N\OC)=CS4)SC3)=O)C2=O)(SCC1/C=C\C8=C(C)N=CS8)[H]
Tpsa: 322.82
Logp: 5.22674
H Acceptors: 28
H Donors: 4
Rotatable Bonds: 22
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₅₁H₅₆N₁₂O₁₄S₆
Molecular Weight:
1253.45
Synonyms:
None
SMILES:
C(OCOC(C(C)(C)C)=O)(=O)C=1N2[C@@]([C@H](NC(/C(=N\OC)/C=3N=C(NCNC4=NC(\C(\C(N[C@H]5[C@@]6(N(C5=O)C(C(OCOC(C(C)(C)C)=O)=O)=C(/C=C\C7=C(C)N=CS7)CS6)[H])=O)=N\OC)=CS4)SC3)=O)C2=O)(SCC1/C=C\C8=C(C)N=CS8)[H]
Tpsa:
322.82
Logp:
5.22674
H Acceptors:
28
H Donors:
4
Rotatable Bonds:
22