1,4-Dimethyl 2-(chlorosulfonyl)benzene-1,4-dicarboxylate
TL;DR: 1,4-Dimethyl 2-(chlorosulfonyl)benzene-1,4-dicarboxylate (CAS 80998-70-5) is a chemical compound with molecular formula C10H9ClO6S and molecular weight 291.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-chlorosulfonylbenzene-1,4-dicarboxylate
Also Known As: 1,4-dimethyl 2-(chlorosulfonyl)benzene-1,4-dicarboxylate, dimethyl 2-(chlorosulfonyl)terephthalate, dimethyl chlorosulfonylterephthalate, Dimethyl 2-chlorosulfonylbenzene-1,4-dicarboxylate, 1,4-dimethyl2-(chlorosulfonyl)benzene-1,4-dicarboxylate
| Molecular Formula | C10H9ClO6S |
|---|---|
| Molecular Weight | 291.98 g/mol |
| LogP | 1.1873 |
| Topological Polar Surface Area | 86.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 291.98083 |
| Heavy Atoms | 18 |
| Complexity | 592.3855 |
Chemical Identifiers
| CAS Number | 80998-70-5 |
|---|---|
| SMILES | COC(=O)C1=CC(=C(C=C1)C(=O)OC)S(=O)(=O)Cl |
Product Overview
1,4-Dimethyl 2-(chlorosulfonyl)benzene-1,4-dicarboxylate (CAS 80998-70-5), with molecular formula C10H9ClO6S and molecular weight 291.98 g/mol. IUPAC: dimethyl 2-chlorosulfonylbenzene-1,4-dicarboxylate.
Chemical Property Profile of 1,4-Dimethyl 2-(chlorosulfonyl)benzene-1,4-dicarboxylate
Property Insights of 1,4-Dimethyl 2-(chlorosulfonyl)benzene-1,4-dicarboxylate
The XLogP value of 1.1873 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Dimethyl 2-(chlorosulfonyl)benzene-1,4-dicarboxylate. The TPSA of 86.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Dimethyl 2-(chlorosulfonyl)benzene-1,4-dicarboxylate. Following Lipinski's Rule of Five, 1,4-Dimethyl 2-(chlorosulfonyl)benzene-1,4-dicarboxylate has 0 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 1,4-Dimethyl 2-(chlorosulfonyl)benzene-1,4-dicarboxylate?
The CAS number of 1,4-Dimethyl 2-(chlorosulfonyl)benzene-1,4-dicarboxylate is 80998-70-5.
What is the molecular formula of 1,4-Dimethyl 2-(chlorosulfonyl)benzene-1,4-dicarboxylate?
The molecular formula of 1,4-Dimethyl 2-(chlorosulfonyl)benzene-1,4-dicarboxylate is C10H9ClO6S.
What is the molecular weight of 1,4-Dimethyl 2-(chlorosulfonyl)benzene-1,4-dicarboxylate?
The molecular weight of 1,4-Dimethyl 2-(chlorosulfonyl)benzene-1,4-dicarboxylate is 291.98 g/mol.
Where can I buy 1,4-Dimethyl 2-(chlorosulfonyl)benzene-1,4-dicarboxylate?
You can request a quote for 1,4-Dimethyl 2-(chlorosulfonyl)benzene-1,4-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Dimethyl 2-(chlorosulfonyl)benzene-1,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Dimethyl 2-(chlorosulfonyl)benzene-1,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.