1,3-Dimethyl 5-sulfoisophthalate
TL;DR: 1,3-Dimethyl 5-sulfoisophthalate (CAS 138-25-0) is a chemical compound with molecular formula C10H10O7S and molecular weight 274.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-bis(methoxycarbonyl)benzenesulfonic acid
Also Known As: 1,3-dimethyl 5-sulfoisophthalate, 3,5-bis(methoxycarbonyl)benzenesulfonic acid, Dimethyl 5-sulphoisophthalate, dimethyl 5-sulfoisophthalate, dimethyl-5-sulfoisophthalate
| Molecular Formula | C10H10O7S |
|---|---|
| Molecular Weight | 274.01 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 274.0147 |
| Heavy Atoms | 18 |
| Complexity | 398.0 |
Chemical Identifiers
| CAS Number | 138-25-0 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC(=C1)S(=O)(=O)O)C(=O)OC |
| InChIKey | HTXMGVTWXZBZNC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Dimethyl 5-sulfoisophthalate (CAS 138-25-0), with molecular formula C10H10O7S and molecular weight 274.01 g/mol. IUPAC: 3,5-bis(methoxycarbonyl)benzenesulfonic acid.
Chemical Property Profile of 1,3-Dimethyl 5-sulfoisophthalate
Property Insights of 1,3-Dimethyl 5-sulfoisophthalate
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dimethyl 5-sulfoisophthalate. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Dimethyl 5-sulfoisophthalate. Following Lipinski's Rule of Five, 1,3-Dimethyl 5-sulfoisophthalate 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 1,3-Dimethyl 5-sulfoisophthalate?
The CAS number of 1,3-Dimethyl 5-sulfoisophthalate is 138-25-0.
What is the molecular formula of 1,3-Dimethyl 5-sulfoisophthalate?
The molecular formula of 1,3-Dimethyl 5-sulfoisophthalate is C10H10O7S.
What is the molecular weight of 1,3-Dimethyl 5-sulfoisophthalate?
The molecular weight of 1,3-Dimethyl 5-sulfoisophthalate is 274.01 g/mol.
Where can I buy 1,3-Dimethyl 5-sulfoisophthalate?
You can request a quote for 1,3-Dimethyl 5-sulfoisophthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dimethyl 5-sulfoisophthalate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dimethyl 5-sulfoisophthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.