Dimethyl 5-(methylsulfonamido)isophthalate
TL;DR: Dimethyl 5-(methylsulfonamido)isophthalate (CAS 62814-45-3) is a chemical compound with molecular formula C11H13NO6S and molecular weight 287.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-(methanesulfonamido)benzene-1,3-dicarboxylate
Also Known As: Dimethyl 5-(methylsulfonamido)isophthalate, Dimethyl5-(methylsulfonamido)isophthalate, dimethyl 5-(methanesulfonamido)benzene-1,3-dicarboxylate, Dimethyl 5-[(methylsulfonyl)amino]isophthalate, 5-methanesulphonylamino-isophthalic acid dimethyl ester
| Molecular Formula | C11H13NO6S |
|---|---|
| Molecular Weight | 287.05 g/mol |
| LogP | 0.6313 |
| Topological Polar Surface Area | 98.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 287.04636 |
| Heavy Atoms | 19 |
| Complexity | 573.36145 |
Chemical Identifiers
| CAS Number | 62814-45-3 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC(=C1)NS(=O)(=O)C)C(=O)OC |
Product Overview
Dimethyl 5-(methylsulfonamido)isophthalate (CAS 62814-45-3), with molecular formula C11H13NO6S and molecular weight 287.05 g/mol. IUPAC: dimethyl 5-(methanesulfonamido)benzene-1,3-dicarboxylate.
Chemical Property Profile of Dimethyl 5-(methylsulfonamido)isophthalate
Property Insights of Dimethyl 5-(methylsulfonamido)isophthalate
The XLogP value of 0.6313 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 5-(methylsulfonamido)isophthalate. The TPSA of 98.77 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 5-(methylsulfonamido)isophthalate. Following Lipinski's Rule of Five, Dimethyl 5-(methylsulfonamido)isophthalate 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-(methylsulfonamido)isophthalate?
The CAS number of Dimethyl 5-(methylsulfonamido)isophthalate is 62814-45-3.
What is the molecular formula of Dimethyl 5-(methylsulfonamido)isophthalate?
The molecular formula of Dimethyl 5-(methylsulfonamido)isophthalate is C11H13NO6S.
What is the molecular weight of Dimethyl 5-(methylsulfonamido)isophthalate?
The molecular weight of Dimethyl 5-(methylsulfonamido)isophthalate is 287.05 g/mol.
Where can I buy Dimethyl 5-(methylsulfonamido)isophthalate?
You can request a quote for Dimethyl 5-(methylsulfonamido)isophthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 5-(methylsulfonamido)isophthalate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 5-(methylsulfonamido)isophthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.