CS-1001379
Biapenem Impurity 12
Manufacturer: ChemScene
CAS Number: 1426393-68-1
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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
C₃₀H₃₆N₈O₈S₂
Molecular Weight
700.79
Synonyms
None
SMILES
C(=O)(C=1N2[C@@]([C@@]([C@@H](C)O)(C2=O)[H])([C@@H](C)C1SC3CN4[N+](C3)=CN=C4)[H])N5[C@@]([C@@H]([C@@H](C)O)C([O-])=O)([C@@H](C)C(SC6CN7[N+](C6)=CN=C7)=C5C([O-])=O)[H]
Tpsa
204.74
Logp
-3.79
H Acceptors
14
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: C₃₀H₃₆N₈O₈S₂
Molecular Weight: 700.79
Synonyms: None
SMILES: C(=O)(C=1N2[C@@]([C@@]([C@@H](C)O)(C2=O)[H])([C@@H](C)C1SC3CN4[N+](C3)=CN=C4)[H])N5[C@@]([C@@H]([C@@H](C)O)C([O-])=O)([C@@H](C)C(SC6CN7[N+](C6)=CN=C7)=C5C([O-])=O)[H]
Tpsa: 204.74
Logp: -3.79
H Acceptors: 14
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:
C₃₀H₃₆N₈O₈S₂
Molecular Weight:
700.79
Synonyms:
None
SMILES:
C(=O)(C=1N2[C@@]([C@@]([C@@H](C)O)(C2=O)[H])([C@@H](C)C1SC3CN4[N+](C3)=CN=C4)[H])N5[C@@]([C@@H]([C@@H](C)O)C([O-])=O)([C@@H](C)C(SC6CN7[N+](C6)=CN=C7)=C5C([O-])=O)[H]
Tpsa:
204.74
Logp:
-3.79
H Acceptors:
14
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: C₁₄H₁₅N₃O₂
Molecular Weight: 257.29
Synonyms: None
SMILES: C(#N)[C@H]1[N@@]2C(=O)N(OCC3=CC=CC=C3)[C@@](C2)(CC1)[H]
Tpsa: 56.57
Logp: 1.91038
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₁₅N₃O₂
Molecular Weight:
257.29
Synonyms:
None
SMILES:
C(#N)[C@H]1[N@@]2C(=O)N(OCC3=CC=CC=C3)[C@@](C2)(CC1)[H]
Tpsa:
56.57
Logp:
1.91038
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
3
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₁₆Cl₂N₂O
Molecular Weight: 287.18
Synonyms: None
SMILES: O=C1N(C=2C=CC=CC2N1CCCCl)CCCCl
Tpsa: 26.93
Logp: 3.0608
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₆Cl₂N₂O
Molecular Weight:
287.18
Synonyms:
None
SMILES:
O=C1N(C=2C=CC=CC2N1CCCCl)CCCCl
Tpsa:
26.93
Logp:
3.0608
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
6
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₁H₂₃N₅O₂S
Molecular Weight: 409.50
Synonyms: None
SMILES: S(=O)(=O)(N1C2=C(N3C(=CN=C3C=N2)[C@@H]4[C@H](CC)CNC4)C=C1)C5=CC=C(C)C=C5
Tpsa: 81.29
Logp: 2.94242
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:
C₂₁H₂₃N₅O₂S
Molecular Weight:
409.50
Synonyms:
None
SMILES:
S(=O)(=O)(N1C2=C(N3C(=CN=C3C=N2)[C@@H]4[C@H](CC)CNC4)C=C1)C5=CC=C(C)C=C5
Tpsa:
81.29
Logp:
2.94242
H Acceptors:
7
H Donors:
1
Rotatable Bonds:
4