![methyl 2-[(N-methoxyamino)sulfonyl]benzoate structure](/static/products/179/179730-98-4.png)
methyl 2-[(N-methoxyamino)sulfonyl]benzoate
TL;DR: methyl 2-[(N-methoxyamino)sulfonyl]benzoate (CAS 179730-98-4) is a chemical compound with molecular formula C9H11NO5S and molecular weight 245.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(methoxysulfamoyl)benzoate
Also Known As: methyl 2-(methoxysulfamoyl)benzoate, methyl 2-[(N-methoxyamino)sulfonyl]benzoate
| Molecular Formula | C9H11NO5S |
|---|---|
| Molecular Weight | 245.04 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 90.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 245.0358 |
| Heavy Atoms | 16 |
| Complexity | 334.0 |
Chemical Identifiers
| CAS Number | 179730-98-4 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1S(=O)(=O)NOC |
| InChIKey | OTXNQWXWRSWGGZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
methyl 2-[(N-methoxyamino)sulfonyl]benzoate (CAS 179730-98-4), with molecular formula C9H11NO5S and molecular weight 245.04 g/mol. IUPAC: methyl 2-(methoxysulfamoyl)benzoate.
Chemical Property Profile of methyl 2-[(N-methoxyamino)sulfonyl]benzoate
Property Insights of methyl 2-[(N-methoxyamino)sulfonyl]benzoate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-[(N-methoxyamino)sulfonyl]benzoate. The TPSA of 90.1 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-[(N-methoxyamino)sulfonyl]benzoate. Following Lipinski's Rule of Five, methyl 2-[(N-methoxyamino)sulfonyl]benzoate has 1 hydrogen bond donor(s) and 6 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-[(N-methoxyamino)sulfonyl]benzoate?
The CAS number of methyl 2-[(N-methoxyamino)sulfonyl]benzoate is 179730-98-4.
What is the molecular formula of methyl 2-[(N-methoxyamino)sulfonyl]benzoate?
The molecular formula of methyl 2-[(N-methoxyamino)sulfonyl]benzoate is C9H11NO5S.
What is the molecular weight of methyl 2-[(N-methoxyamino)sulfonyl]benzoate?
The molecular weight of methyl 2-[(N-methoxyamino)sulfonyl]benzoate is 245.04 g/mol.
Where can I buy methyl 2-[(N-methoxyamino)sulfonyl]benzoate?
You can request a quote for methyl 2-[(N-methoxyamino)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-[(N-methoxyamino)sulfonyl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-[(N-methoxyamino)sulfonyl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.