Dimethyl 2-sulphoterephthalate
TL;DR: Dimethyl 2-sulphoterephthalate (CAS 55447-98-8) 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.
2,5-bis(methoxycarbonyl)benzenesulfonic acid
Also Known As: Dimethyl 2-sulphoterephthalate, DIMETHYL 2-SULFOTEREPHTHALATE, dimethyl2-sulphoterephthalate, 2,5-bis(methoxycarbonyl)benzenesulfonic acid, 1,4-Dimethyl sulfoterephthalate
| Molecular Formula | C10H10O7S |
|---|---|
| Molecular Weight | 274.01 g/mol |
| LogP | 1.0 |
| 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 | 422.0 |
Chemical Identifiers
| CAS Number | 55447-98-8 |
|---|---|
| SMILES | COC(=O)C1=CC(=C(C=C1)C(=O)OC)S(=O)(=O)O |
| InChIKey | UOOQUQHTCHZDLK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dimethyl 2-sulphoterephthalate (CAS 55447-98-8), with molecular formula C10H10O7S and molecular weight 274.01 g/mol. IUPAC: 2,5-bis(methoxycarbonyl)benzenesulfonic acid.
Chemical Property Profile of Dimethyl 2-sulphoterephthalate
Property Insights of Dimethyl 2-sulphoterephthalate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 2-sulphoterephthalate. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 2-sulphoterephthalate. Following Lipinski's Rule of Five, Dimethyl 2-sulphoterephthalate 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 Dimethyl 2-sulphoterephthalate?
The CAS number of Dimethyl 2-sulphoterephthalate is 55447-98-8.
What is the molecular formula of Dimethyl 2-sulphoterephthalate?
The molecular formula of Dimethyl 2-sulphoterephthalate is C10H10O7S.
What is the molecular weight of Dimethyl 2-sulphoterephthalate?
The molecular weight of Dimethyl 2-sulphoterephthalate is 274.01 g/mol.
Where can I buy Dimethyl 2-sulphoterephthalate?
You can request a quote for Dimethyl 2-sulphoterephthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 2-sulphoterephthalate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2-sulphoterephthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.