CS-1005049
1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 3-[[2-[[[[2-[[2-carboxy-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-en-3-yl]thio]ethyl]amino]methylene]amino]ethyl]thio]-6-(1-hydroxyethyl)-7-oxo-, [5R-[3[5R*,6S*(R*)],5α,6α(R*)]]-
Manufacturer: ChemScene
CAS Number: 85604-01-9
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Purity
97%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₂₃H₃₀N₄O₈S₂
Molecular Weight
554.64
Synonyms
None
SMILES
[C@H](C)(O)[C@@]1([C@@]2(N(C(C(O)=O)=C(SCCN=CNCCSC3=C(C(O)=O)N4[C@](C3)([C@@]([C@@H](C)O)(C4=O)[H])[H])C2)C1=O)[H])[H]
Tpsa
180.07
Logp
-0.1139
H Acceptors
9
H Donors
5
Rotatable Bonds
13
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 85604-01-9 | | A2B Chem | -- |
SAFETY INFORMATION
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: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₃H₃₀N₄O₈S₂
Molecular Weight: 554.64
Synonyms: None
SMILES: [C@H](C)(O)[C@@]1([C@@]2(N(C(C(O)=O)=C(SCCN=CNCCSC3=C(C(O)=O)N4[C@](C3)([C@@]([C@@H](C)O)(C4=O)[H])[H])C2)C1=O)[H])[H]
Tpsa: 180.07
Logp: -0.1139
H Acceptors: 9
H Donors: 5
Rotatable Bonds: 13
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₃H₃₀N₄O₈S₂
Molecular Weight:
554.64
Synonyms:
None
SMILES:
[C@H](C)(O)[C@@]1([C@@]2(N(C(C(O)=O)=C(SCCN=CNCCSC3=C(C(O)=O)N4[C@](C3)([C@@]([C@@H](C)O)(C4=O)[H])[H])C2)C1=O)[H])[H]
Tpsa:
180.07
Logp:
-0.1139
H Acceptors:
9
H Donors:
5
Rotatable Bonds:
13
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₁₁N
Molecular Weight: 169.22
Synonyms: None
SMILES: N=C(C1=CC=CC=2C=CC=CC21)C
Tpsa: 23.85
Logp: 3.22757
H Acceptors: 1
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:
C₁₂H₁₁N
Molecular Weight:
169.22
Synonyms:
None
SMILES:
N=C(C1=CC=CC=2C=CC=CC21)C
Tpsa:
23.85
Logp:
3.22757
H Acceptors:
1
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: C₁₅H₁₃FN₂O
Molecular Weight: 256.27
Synonyms: None
SMILES: O=C1NC2=CC=C(F)C=C2C1=CC=3NC(=CC3C)C
Tpsa: 44.89
Logp: 3.26334
H Acceptors: 1
H Donors: 2
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:
C₁₅H₁₃FN₂O
Molecular Weight:
256.27
Synonyms:
None
SMILES:
O=C1NC2=CC=C(F)C=C2C1=CC=3NC(=CC3C)C
Tpsa:
44.89
Logp:
3.26334
H Acceptors:
1
H Donors:
2
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: C₁₈H₁₈N₂O₆
Molecular Weight: 358.35
Synonyms: None
SMILES: O=C(O)C1=C(N=C(C(C(=O)OC(C)C)=C1C=2C=CC=C(C2)N(=O)=O)C)C
Tpsa: 119.63
Logp: 3.53704
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:
C₁₈H₁₈N₂O₆
Molecular Weight:
358.35
Synonyms:
None
SMILES:
O=C(O)C1=C(N=C(C(C(=O)OC(C)C)=C1C=2C=CC=C(C2)N(=O)=O)C)C
Tpsa:
119.63
Logp:
3.53704
H Acceptors:
6
H Donors:
1
Rotatable Bonds:
5