CS-0120610
Benzhydryl (2S,3R,5R)-3-formyl-3-methyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
Manufacturer: ChemScene
CAS Number: 162514-95-6
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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
C₂₁H₁₉NO₄S
Molecular Weight
381.44
Synonyms
diphenylmethyl (2S,3R,5R)-3-formyl-3-methyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
SMILES
C[C@]1(C=O)[C@H](C(OC(C2=CC=CC=C2)C3=CC=CC=C3)=O)N4[C@](CC4=O)([H])S1
Tpsa
63.68
Logp
2.9506
H Acceptors
5
H Donors
0
Rotatable Bonds
5
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 162514-95-6 | diphenylmethyl(2S,3R,5R)-3-formyl-3-methyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate | 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: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₁H₁₉NO₄S
Molecular Weight: 381.44
Synonyms: diphenylmethyl (2S,3R,5R)-3-formyl-3-methyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
SMILES: C[C@]1(C=O)[C@H](C(OC(C2=CC=CC=C2)C3=CC=CC=C3)=O)N4[C@](CC4=O)([H])S1
Tpsa: 63.68
Logp: 2.9506
H Acceptors: 5
H Donors: 0
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:
C₂₁H₁₉NO₄S
Molecular Weight:
381.44
Synonyms:
diphenylmethyl (2S,3R,5R)-3-formyl-3-methyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
SMILES:
C[C@]1(C=O)[C@H](C(OC(C2=CC=CC=C2)C3=CC=CC=C3)=O)N4[C@](CC4=O)([H])S1
Tpsa:
63.68
Logp:
2.9506
H Acceptors:
5
H Donors:
0
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: C₂₁H₂₁NO₄S
Molecular Weight: 383.46
Synonyms: benzhydryl (2S,3R,5R)-3-hydroxymethyl-3-methyl-7-oxo-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylate
SMILES: C[C@]1(CO)[C@H](C(OC(C2=CC=CC=C2)C3=CC=CC=C3)=O)N4[C@](CC4=O)([H])S1
Tpsa: 66.84
Logp: 2.744
H Acceptors: 5
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:
C₂₁H₂₁NO₄S
Molecular Weight:
383.46
Synonyms:
benzhydryl (2S,3R,5R)-3-hydroxymethyl-3-methyl-7-oxo-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylate
SMILES:
C[C@]1(CO)[C@H](C(OC(C2=CC=CC=C2)C3=CC=CC=C3)=O)N4[C@](CC4=O)([H])S1
Tpsa:
66.84
Logp:
2.744
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
5
Purity: 95%
MDL No: MFCD30803417
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₁₄BrN₃
Molecular Weight: 268.15
Synonyms: None
SMILES: CNC1=C(CC)N=C2C(C)=CC(Br)=CN21
Tpsa: 29.33
Logp: 3.00932
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 2
Purity:
95%
MDL No:
MFCD30803417
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₁₄BrN₃
Molecular Weight:
268.15
Synonyms:
None
SMILES:
CNC1=C(CC)N=C2C(C)=CC(Br)=CN21
Tpsa:
29.33
Logp:
3.00932
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
2
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₅H₁₂ClNO₂S
Molecular Weight: 185.67
Synonyms: ([1-(Methylsulfonyl)cyclopropyl]methyl)amine hydrochloride
SMILES: NCC1(S(=O)(C)=O)CC1.[H]Cl
Tpsa: 60.16
Logp: -0.0559
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 2
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₅H₁₂ClNO₂S
Molecular Weight:
185.67
Synonyms:
([1-(Methylsulfonyl)cyclopropyl]methyl)amine hydrochloride
SMILES:
NCC1(S(=O)(C)=O)CC1.[H]Cl
Tpsa:
60.16
Logp:
-0.0559
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
2