![2-[(2,5-Dimethoxyphenyl)sulfonyl]-3,6-dimethoxybenzoic acid structure](/static/products/126/126076-79-7.png)
2-[(2,5-Dimethoxyphenyl)sulfonyl]-3,6-dimethoxybenzoic acid
TL;DR: 2-[(2,5-Dimethoxyphenyl)sulfonyl]-3,6-dimethoxybenzoic acid (CAS 126076-79-7) is a chemical compound with molecular formula C17H18O8S and molecular weight 382.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,5-dimethoxyphenyl)sulfonyl-3,6-dimethoxybenzoic acid
Also Known As: TimTec1_002205, 2-[(2,5-dimethoxyphenyl)sulfonyl]-3,6-dimethoxybenzoic acid, 2-(2,5-dimethoxyphenyl)sulfonyl-3,6-dimethoxybenzoic acid, 2-((2,5-dimethoxyphenyl)sulfonyl)-3,6-dimethoxybenzoic acid
| Molecular Formula | C17H18O8S |
|---|---|
| Molecular Weight | 382.07 g/mol |
| LogP | 2.252 |
| Topological Polar Surface Area | 108.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 382.07224 |
| Heavy Atoms | 26 |
| Complexity | 934.01935 |
Chemical Identifiers
| CAS Number | 126076-79-7 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)OC)S(=O)(=O)C2=C(C=CC(=C2C(=O)O)OC)OC |
Product Overview
2-[(2,5-Dimethoxyphenyl)sulfonyl]-3,6-dimethoxybenzoic acid (CAS 126076-79-7), with molecular formula C17H18O8S and molecular weight 382.07 g/mol. IUPAC: 2-(2,5-dimethoxyphenyl)sulfonyl-3,6-dimethoxybenzoic acid.
Chemical Property Profile of 2-[(2,5-Dimethoxyphenyl)sulfonyl]-3,6-dimethoxybenzoic acid
Property Insights of 2-[(2,5-Dimethoxyphenyl)sulfonyl]-3,6-dimethoxybenzoic acid
The XLogP value of 2.252 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(2,5-Dimethoxyphenyl)sulfonyl]-3,6-dimethoxybenzoic acid. The TPSA of 108.36 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(2,5-Dimethoxyphenyl)sulfonyl]-3,6-dimethoxybenzoic acid. Following Lipinski's Rule of Five, 2-[(2,5-Dimethoxyphenyl)sulfonyl]-3,6-dimethoxybenzoic acid has 1 hydrogen bond donor(s) and 7 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 2-[(2,5-Dimethoxyphenyl)sulfonyl]-3,6-dimethoxybenzoic acid?
The CAS number of 2-[(2,5-Dimethoxyphenyl)sulfonyl]-3,6-dimethoxybenzoic acid is 126076-79-7.
What is the molecular formula of 2-[(2,5-Dimethoxyphenyl)sulfonyl]-3,6-dimethoxybenzoic acid?
The molecular formula of 2-[(2,5-Dimethoxyphenyl)sulfonyl]-3,6-dimethoxybenzoic acid is C17H18O8S.
What is the molecular weight of 2-[(2,5-Dimethoxyphenyl)sulfonyl]-3,6-dimethoxybenzoic acid?
The molecular weight of 2-[(2,5-Dimethoxyphenyl)sulfonyl]-3,6-dimethoxybenzoic acid is 382.07 g/mol.
Where can I buy 2-[(2,5-Dimethoxyphenyl)sulfonyl]-3,6-dimethoxybenzoic acid?
You can request a quote for 2-[(2,5-Dimethoxyphenyl)sulfonyl]-3,6-dimethoxybenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(2,5-Dimethoxyphenyl)sulfonyl]-3,6-dimethoxybenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2,5-Dimethoxyphenyl)sulfonyl]-3,6-dimethoxybenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.