CS-0547777
2-((6-Amino-9-benzyl-9H-purin-8-yl)thio)acetic acid
Manufacturer: ChemScene
CAS Number: 321418-06-8
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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
C₁₄H₁₃N₅O₂S
Molecular Weight
315.35
Synonyms
[(6-AMINO-9-BENZYL-9H-PURIN-8-YL)THIO]ACETIC ACID
SMILES
C1=CC=C(C=C1)CN2C3=NC=NC(=C3N=C2SCC(=O)O)N
Tpsa
106.92
Logp
1.6335
H Acceptors
7
H Donors
2
Rotatable Bonds
5
Related Products
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: C₁₄H₁₃N₅O₂S
Molecular Weight: 315.35
Synonyms: [(6-AMINO-9-BENZYL-9H-PURIN-8-YL)THIO]ACETIC ACID
SMILES: C1=CC=C(C=C1)CN2C3=NC=NC(=C3N=C2SCC(=O)O)N
Tpsa: 106.92
Logp: 1.6335
H Acceptors: 7
H Donors: 2
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:
C₁₄H₁₃N₅O₂S
Molecular Weight:
315.35
Synonyms:
[(6-AMINO-9-BENZYL-9H-PURIN-8-YL)THIO]ACETIC ACID
SMILES:
C1=CC=C(C=C1)CN2C3=NC=NC(=C3N=C2SCC(=O)O)N
Tpsa:
106.92
Logp:
1.6335
H Acceptors:
7
H Donors:
2
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: C₉H₈F₂O
Molecular Weight: 170.16
Synonyms: None
SMILES: C1CC2=C(C1O)C=C(C=C2F)F
Tpsa: 20.23
Logp: 1.9444
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:
C₉H₈F₂O
Molecular Weight:
170.16
Synonyms:
None
SMILES:
C1CC2=C(C1O)C=C(C=C2F)F
Tpsa:
20.23
Logp:
1.9444
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: C₁₁H₁₀O₅S
Molecular Weight: 254.26
Synonyms: Ethyl 2-(3,4-methylenedioxyphenyl)sulfanyl-2-oxo-acetate
SMILES: CCOC(=O)C(=O)SC1=CC2=C(C=C1)OCO2
Tpsa: 61.83
Logp: 1.5971
H Acceptors: 6
H Donors: 0
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:
C₁₁H₁₀O₅S
Molecular Weight:
254.26
Synonyms:
Ethyl 2-(3,4-methylenedioxyphenyl)sulfanyl-2-oxo-acetate
SMILES:
CCOC(=O)C(=O)SC1=CC2=C(C=C1)OCO2
Tpsa:
61.83
Logp:
1.5971
H Acceptors:
6
H Donors:
0
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: C₈H₄BrFN₂O
Molecular Weight: 243.03
Synonyms: 3-Bromo-6-fluoro-1H-cinnolin-4-one
SMILES: C1=CC2=C(C=C1F)C(=O)C(=NN2)Br
Tpsa: 45.75
Logp: 1.8247
H Acceptors: 2
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:
C₈H₄BrFN₂O
Molecular Weight:
243.03
Synonyms:
3-Bromo-6-fluoro-1H-cinnolin-4-one
SMILES:
C1=CC2=C(C=C1F)C(=O)C(=NN2)Br
Tpsa:
45.75
Logp:
1.8247
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
0