![Dimethyl 5-{[(4-chlorobenzyl)sulfonyl]amino}benzene-1,3-dicarboxylate structure](/static/products/827/827619-80-7.png)
Dimethyl 5-{[(4-chlorobenzyl)sulfonyl]amino}benzene-1,3-dicarboxylate
TL;DR: Dimethyl 5-{[(4-chlorobenzyl)sulfonyl]amino}benzene-1,3-dicarboxylate (CAS 827619-80-7) is a chemical compound with molecular formula C17H16ClNO6S and molecular weight 397.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-[(4-chlorophenyl)methylsulfonylamino]benzene-1,3-dicarboxylate
Also Known As: dimethyl 5-((4-chlorophenyl)methylsulfonamido)isophthalate, DIMETHYL 5-{[(4-CHLOROBENZYL)SULFONYL]AMINO}ISOPHTHALATE, dimethyl 5-{[(4-chlorobenzyl)sulfonyl]amino}benzene-1,3-dicarboxylate, methyl 5-({[(4-chlorophenyl)methyl]sulfonyl}amino)-3-(methoxycarbonyl)benzoate
| Molecular Formula | C17H16ClNO6S |
|---|---|
| Molecular Weight | 397.04 g/mol |
| LogP | 2.8551 |
| Topological Polar Surface Area | 98.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 397.0387 |
| Heavy Atoms | 26 |
| Complexity | 890.51935 |
Chemical Identifiers
| CAS Number | 827619-80-7 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC(=C1)NS(=O)(=O)CC2=CC=C(C=C2)Cl)C(=O)OC |
Product Overview
Dimethyl 5-{[(4-chlorobenzyl)sulfonyl]amino}benzene-1,3-dicarboxylate (CAS 827619-80-7), with molecular formula C17H16ClNO6S and molecular weight 397.04 g/mol. IUPAC: dimethyl 5-[(4-chlorophenyl)methylsulfonylamino]benzene-1,3-dicarboxylate.
Chemical Property Profile of Dimethyl 5-{[(4-chlorobenzyl)sulfonyl]amino}benzene-1,3-dicarboxylate
Property Insights of Dimethyl 5-{[(4-chlorobenzyl)sulfonyl]amino}benzene-1,3-dicarboxylate
The XLogP value of 2.8551 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 5-{[(4-chlorobenzyl)sulfonyl]amino}benzene-1,3-dicarboxylate. The TPSA of 98.77 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 5-{[(4-chlorobenzyl)sulfonyl]amino}benzene-1,3-dicarboxylate. Following Lipinski's Rule of Five, Dimethyl 5-{[(4-chlorobenzyl)sulfonyl]amino}benzene-1,3-dicarboxylate 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 Dimethyl 5-{[(4-chlorobenzyl)sulfonyl]amino}benzene-1,3-dicarboxylate?
The CAS number of Dimethyl 5-{[(4-chlorobenzyl)sulfonyl]amino}benzene-1,3-dicarboxylate is 827619-80-7.
What is the molecular formula of Dimethyl 5-{[(4-chlorobenzyl)sulfonyl]amino}benzene-1,3-dicarboxylate?
The molecular formula of Dimethyl 5-{[(4-chlorobenzyl)sulfonyl]amino}benzene-1,3-dicarboxylate is C17H16ClNO6S.
What is the molecular weight of Dimethyl 5-{[(4-chlorobenzyl)sulfonyl]amino}benzene-1,3-dicarboxylate?
The molecular weight of Dimethyl 5-{[(4-chlorobenzyl)sulfonyl]amino}benzene-1,3-dicarboxylate is 397.04 g/mol.
Where can I buy Dimethyl 5-{[(4-chlorobenzyl)sulfonyl]amino}benzene-1,3-dicarboxylate?
You can request a quote for Dimethyl 5-{[(4-chlorobenzyl)sulfonyl]amino}benzene-1,3-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 5-{[(4-chlorobenzyl)sulfonyl]amino}benzene-1,3-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 5-{[(4-chlorobenzyl)sulfonyl]amino}benzene-1,3-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.