CS-0567608
(S)-6-(((R)-3-Amino-3-phenylprop-1-en-2-yl)amino)-2,2-dimethyl-7-oxo-2,3,4,7-tetrahydro-1,4-thiazepine-3-carboxylic acid Ampicillin Impurity
Manufacturer: ChemScene
CAS Number: None
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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
C₁₇H₂₁N₃O₃S
Molecular Weight
347.43
Synonyms
None
SMILES
[H][C@](C(NC1=CN[C@@](C(O)=O)(C(C)(SC1=O)C)[H])=C)(C2=CC=CC=C2)N
Tpsa
104.45
Logp
1.7259
H Acceptors
6
H Donors
4
Rotatable Bonds
5
Other Options
...
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: C₁₇H₂₁N₃O₃S
Molecular Weight: 347.43
Synonyms: None
SMILES: [H][C@](C(NC1=CN[C@@](C(O)=O)(C(C)(SC1=O)C)[H])=C)(C2=CC=CC=C2)N
Tpsa: 104.45
Logp: 1.7259
H Acceptors: 6
H Donors: 4
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:
C₁₇H₂₁N₃O₃S
Molecular Weight:
347.43
Synonyms:
None
SMILES:
[H][C@](C(NC1=CN[C@@](C(O)=O)(C(C)(SC1=O)C)[H])=C)(C2=CC=CC=C2)N
Tpsa:
104.45
Logp:
1.7259
H Acceptors:
6
H Donors:
4
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: C₂₄H₂₉N₅O₆S₂
Molecular Weight: 547.65
Synonyms: None
SMILES: CC1(S[C@]2(N([C@]1(C(N[C@@]3([H])C(N4[C@](C(O)=O)(C(C)(S[C@]43[H])C)[H])=O)=O)[H])C([C@]2(NC([C@@](N)(C5=CC=CC=C5)[H])=O)[H])=O)[H])C
Tpsa: 162.14
Logp: -0.1348
H Acceptors: 8
H Donors: 4
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:
C₂₄H₂₉N₅O₆S₂
Molecular Weight:
547.65
Synonyms:
None
SMILES:
CC1(S[C@]2(N([C@]1(C(N[C@@]3([H])C(N4[C@](C(O)=O)(C(C)(S[C@]43[H])C)[H])=O)=O)[H])C([C@]2(NC([C@@](N)(C5=CC=CC=C5)[H])=O)[H])=O)[H])C
Tpsa:
162.14
Logp:
-0.1348
H Acceptors:
8
H Donors:
4
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: C₃₂H₄₀N₆O₉S₂
Molecular Weight: 716.82
Synonyms: None
SMILES: [H][C@]1(NC(SC1(C)C)C(C(O)=O)NC([C@](NC(C(C2N[C@](C(O)=O)(C(C)(S2)C)[H])NC([C@@](N)(C3=CC=CC=C3)[H])=O)=O)(C4=CC=CC=C4)[H])=O)C(O)=O
Tpsa: 249.28
Logp: 0.3867
H Acceptors: 11
H Donors: 9
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:
C₃₂H₄₀N₆O₉S₂
Molecular Weight:
716.82
Synonyms:
None
SMILES:
[H][C@]1(NC(SC1(C)C)C(C(O)=O)NC([C@](NC(C(C2N[C@](C(O)=O)(C(C)(S2)C)[H])NC([C@@](N)(C3=CC=CC=C3)[H])=O)=O)(C4=CC=CC=C4)[H])=O)C(O)=O
Tpsa:
249.28
Logp:
0.3867
H Acceptors:
11
H Donors:
9
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: C₃₂H₃₈N₆O₈S₂
Molecular Weight: 698.81
Synonyms: None
SMILES: [H][C@]1(C(O)=O)N2C([C@]([C@]2([H])SC1(C)C)([H])NC([C@@](C3=CC=CC=C3)([H])NC(C(NC([C@](C4=CC=CC=C4)([H])N)=O)C5N[C@](C(S5)(C)C)([H])C(O)=O)=O)=O)=O
Tpsa: 220.26
Logp: 0.5547
H Acceptors: 10
H Donors: 7
Rotatable Bonds: 11
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₂H₃₈N₆O₈S₂
Molecular Weight:
698.81
Synonyms:
None
SMILES:
[H][C@]1(C(O)=O)N2C([C@]([C@]2([H])SC1(C)C)([H])NC([C@@](C3=CC=CC=C3)([H])NC(C(NC([C@](C4=CC=CC=C4)([H])N)=O)C5N[C@](C(S5)(C)C)([H])C(O)=O)=O)=O)=O
Tpsa:
220.26
Logp:
0.5547
H Acceptors:
10
H Donors:
7
Rotatable Bonds:
11