Benzoic acid, 5-isobutoxy-2-sulfamoyl-, methyl ester
TL;DR: Benzoic acid, 5-isobutoxy-2-sulfamoyl-, methyl ester (CAS 70017-20-8) is a chemical compound with molecular formula C12H17NO5S and molecular weight 287.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-(2-methylpropoxy)-2-sulfamoylbenzoate
Also Known As: 5-Isobutoxy-2-sulfamoylbenzoic acid methyl ester, methyl 5-(2-methylpropoxy)-2-sulfamoylbenzoate, BENZOIC ACID, 5-ISOBUTOXY-2-SULFAMOYL-, METHYL ESTER, BRN 2989481, RefChem:327688
| Molecular Formula | C12H17NO5S |
|---|---|
| Molecular Weight | 287.08 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 287.08273 |
| Heavy Atoms | 19 |
| Complexity | 401.0 |
Chemical Identifiers
| CAS Number | 70017-20-8 |
|---|---|
| SMILES | CC(C)COC1=CC(=C(C=C1)S(=O)(=O)N)C(=O)OC |
| InChIKey | IUSXEUQBVFGGRQ-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 5-isobutoxy-2-sulfamoyl-, methyl ester (CAS 70017-20-8), with molecular formula C12H17NO5S and molecular weight 287.08 g/mol. IUPAC: methyl 5-(2-methylpropoxy)-2-sulfamoylbenzoate.
Chemical Property Profile of Benzoic acid, 5-isobutoxy-2-sulfamoyl-, methyl ester
Property Insights of Benzoic acid, 5-isobutoxy-2-sulfamoyl-, methyl ester
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 5-isobutoxy-2-sulfamoyl-, methyl ester. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 5-isobutoxy-2-sulfamoyl-, methyl ester. Following Lipinski's Rule of Five, Benzoic acid, 5-isobutoxy-2-sulfamoyl-, methyl ester 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 Benzoic acid, 5-isobutoxy-2-sulfamoyl-, methyl ester?
The CAS number of Benzoic acid, 5-isobutoxy-2-sulfamoyl-, methyl ester is 70017-20-8.
What is the molecular formula of Benzoic acid, 5-isobutoxy-2-sulfamoyl-, methyl ester?
The molecular formula of Benzoic acid, 5-isobutoxy-2-sulfamoyl-, methyl ester is C12H17NO5S.
What is the molecular weight of Benzoic acid, 5-isobutoxy-2-sulfamoyl-, methyl ester?
The molecular weight of Benzoic acid, 5-isobutoxy-2-sulfamoyl-, methyl ester is 287.08 g/mol.
Where can I buy Benzoic acid, 5-isobutoxy-2-sulfamoyl-, methyl ester?
You can request a quote for Benzoic acid, 5-isobutoxy-2-sulfamoyl-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 5-isobutoxy-2-sulfamoyl-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 5-isobutoxy-2-sulfamoyl-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.