CS-0571394
Benzhydryl (6R,7R)-8-oxo-7-(2-phenylacetamido)-3-((4-(pyridin-4-yl)thiazol-2-yl)thio)-5-thia-1-azabicyclo[4.2.0]Oct-2-烯-2-carboxylate
Manufacturer: ChemScene
CAS Number: 400827-68-1
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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
C₃₆H₂₈N₄O₄S₃
Molecular Weight
676.83
Synonyms
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 8-oxo-7-[(2-phenylacetyl)amino]-3-[[4-(4-pyridinyl)-2-thiazolyl]thio]-, diphenylmethyl ester, (6R,7R)-
SMILES
C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CC=C3)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5)SC6=NC(=CS6)C7=CC=NC=C7
Tpsa
101.49
Logp
6.4842
H Acceptors
9
H Donors
1
Rotatable Bonds
10
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 400827-68-1 | 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 8-oxo-7-[(2-phenylacetyl)amino]-3-[[4-(4-pyridinyl)-2-thiazolyl]thio]-, diphenylmethyl ester, (6R,7R)- | A2B Chem | -- |
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: C₃₆H₂₈N₄O₄S₃
Molecular Weight: 676.83
Synonyms: 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 8-oxo-7-[(2-phenylacetyl)amino]-3-[[4-(4-pyridinyl)-2-thiazolyl]thio]-, diphenylmethyl ester, (6R,7R)-
SMILES: C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CC=C3)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5)SC6=NC(=CS6)C7=CC=NC=C7
Tpsa: 101.49
Logp: 6.4842
H Acceptors: 9
H Donors: 1
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:
C₃₆H₂₈N₄O₄S₃
Molecular Weight:
676.83
Synonyms:
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 8-oxo-7-[(2-phenylacetyl)amino]-3-[[4-(4-pyridinyl)-2-thiazolyl]thio]-, diphenylmethyl ester, (6R,7R)-
SMILES:
C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CC=C3)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5)SC6=NC(=CS6)C7=CC=NC=C7
Tpsa:
101.49
Logp:
6.4842
H Acceptors:
9
H Donors:
1
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: C₉H₉N₃O₆
Molecular Weight: 255.18
Synonyms: 5-(Hydroxymethyl)-3-[(5-nitro-2-furyl)methylideneamino]oxazolidin-2-one
SMILES: C1C(OC(=O)N1/N=C/C2=CC=C(O2)[N+](=O)[O-])CO
Tpsa: 118.41
Logp: 0.3348
H Acceptors: 7
H Donors: 1
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₉N₃O₆
Molecular Weight:
255.18
Synonyms:
5-(Hydroxymethyl)-3-[(5-nitro-2-furyl)methylideneamino]oxazolidin-2-one
SMILES:
C1C(OC(=O)N1/N=C/C2=CC=C(O2)[N+](=O)[O-])CO
Tpsa:
118.41
Logp:
0.3348
H Acceptors:
7
H Donors:
1
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₁₄F₃N₃O₂S
Molecular Weight: 309.31
Synonyms: None
SMILES: OC1=C(CSC2=NOC(C)(C)C2)C(C(F)(F)F)=NN1C
Tpsa: 59.64
Logp: 2.8901
H Acceptors: 6
H Donors: 1
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:
C₁₁H₁₄F₃N₃O₂S
Molecular Weight:
309.31
Synonyms:
None
SMILES:
OC1=C(CSC2=NOC(C)(C)C2)C(C(F)(F)F)=NN1C
Tpsa:
59.64
Logp:
2.8901
H Acceptors:
6
H Donors:
1
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: C₇H₁₆N₂O₂
Molecular Weight: 160.21
Synonyms: None
SMILES: CCOC(=O)CCNN(C)C
Tpsa: 41.57
Logp: 0.0058
H Acceptors: 4
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:
C₇H₁₆N₂O₂
Molecular Weight:
160.21
Synonyms:
None
SMILES:
CCOC(=O)CCNN(C)C
Tpsa:
41.57
Logp:
0.0058
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
5