CS-0871502
(2-Benzyl-3-((2-(3-methoxyphenyl)-2-oxoethyl)thio)propanoyl)glycine
Manufacturer: ChemScene
CAS Number: 1329611-20-2
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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
C₂₁H₂₃NO₅S
Molecular Weight
401.48
Synonyms
None
SMILES
COC1=CC=CC(C(CSCC(C(NCC(O)=O)=O)CC2=CC=CC=C2)=O)=C1
Tpsa
92.7
Logp
2.6708
H Acceptors
5
H Donors
2
Rotatable Bonds
11
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: C₂₁H₂₃NO₅S
Molecular Weight: 401.48
Synonyms: None
SMILES: COC1=CC=CC(C(CSCC(C(NCC(O)=O)=O)CC2=CC=CC=C2)=O)=C1
Tpsa: 92.7
Logp: 2.6708
H Acceptors: 5
H Donors: 2
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:
C₂₁H₂₃NO₅S
Molecular Weight:
401.48
Synonyms:
None
SMILES:
COC1=CC=CC(C(CSCC(C(NCC(O)=O)=O)CC2=CC=CC=C2)=O)=C1
Tpsa:
92.7
Logp:
2.6708
H Acceptors:
5
H Donors:
2
Rotatable Bonds:
11
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₄ClF₃N₂O₃
Molecular Weight: 256.57
Synonyms: None
SMILES: NC1=C([N+]([O-])=O)C=C(OC(F)(F)F)C=C1Cl
Tpsa: 78.39
Logp: 2.729
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 2
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₄ClF₃N₂O₃
Molecular Weight:
256.57
Synonyms:
None
SMILES:
NC1=C([N+]([O-])=O)C=C(OC(F)(F)F)C=C1Cl
Tpsa:
78.39
Logp:
2.729
H Acceptors:
4
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: C₆H₂BrCl₃O
Molecular Weight: 276.34
Synonyms: None
SMILES: C1=C(C(=C(C(=C1Br)Cl)Cl)O)Cl
Tpsa: 20.23
Logp: 4.1149
H Acceptors: 1
H Donors: 1
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₆H₂BrCl₃O
Molecular Weight:
276.34
Synonyms:
None
SMILES:
C1=C(C(=C(C(=C1Br)Cl)Cl)O)Cl
Tpsa:
20.23
Logp:
4.1149
H Acceptors:
1
H Donors:
1
Rotatable Bonds:
0
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₄H₉NO₃
Molecular Weight: 119.12
Synonyms: None
SMILES: COC(=O)[C@H](CN)O
Tpsa: 72.55
Logp: -1.521
H Acceptors: 4
H Donors: 2
Rotatable Bonds: 2
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄H₉NO₃
Molecular Weight:
119.12
Synonyms:
None
SMILES:
COC(=O)[C@H](CN)O
Tpsa:
72.55
Logp:
-1.521
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
2