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Methyl 2-[(cyanomethyl)sulfonyl]benzoate
TL;DR: Methyl 2-[(cyanomethyl)sulfonyl]benzoate (CAS 175137-52-7) is a chemical compound with molecular formula C10H9NO4S and molecular weight 239.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(cyanomethylsulfonyl)benzoate
Also Known As: methyl 2-[(cyanomethyl)sulfonyl]benzoate, Maybridge1_004417, methyl 2-(cyanomethylsulfonyl)benzoate, Methyl 2-((cyanomethyl)sulfonyl)benzoate, methyl 2-(cyanomethanesulfonyl)benzoate
| Molecular Formula | C10H9NO4S |
|---|---|
| Molecular Weight | 239.03 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 92.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 239.02522 |
| Heavy Atoms | 16 |
| Complexity | 400.0 |
Chemical Identifiers
| CAS Number | 175137-52-7 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1S(=O)(=O)CC#N |
| InChIKey | GSBCUUXSBJVYLU-UHFFFAOYSA-N |
Product Overview
Methyl 2-[(cyanomethyl)sulfonyl]benzoate (CAS 175137-52-7), with molecular formula C10H9NO4S and molecular weight 239.03 g/mol. IUPAC: methyl 2-(cyanomethylsulfonyl)benzoate.
Chemical Property Profile of Methyl 2-[(cyanomethyl)sulfonyl]benzoate
Property Insights of Methyl 2-[(cyanomethyl)sulfonyl]benzoate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-[(cyanomethyl)sulfonyl]benzoate. The TPSA of 92.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-[(cyanomethyl)sulfonyl]benzoate. Following Lipinski's Rule of Five, Methyl 2-[(cyanomethyl)sulfonyl]benzoate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl 2-[(cyanomethyl)sulfonyl]benzoate?
The CAS number of Methyl 2-[(cyanomethyl)sulfonyl]benzoate is 175137-52-7.
What is the molecular formula of Methyl 2-[(cyanomethyl)sulfonyl]benzoate?
The molecular formula of Methyl 2-[(cyanomethyl)sulfonyl]benzoate is C10H9NO4S.
What is the molecular weight of Methyl 2-[(cyanomethyl)sulfonyl]benzoate?
The molecular weight of Methyl 2-[(cyanomethyl)sulfonyl]benzoate is 239.03 g/mol.
Where can I buy Methyl 2-[(cyanomethyl)sulfonyl]benzoate?
You can request a quote for Methyl 2-[(cyanomethyl)sulfonyl]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-[(cyanomethyl)sulfonyl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[(cyanomethyl)sulfonyl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.