Dimethyl 2-chloroisophthalate
TL;DR: Dimethyl 2-chloroisophthalate (CAS 60047-40-7) is a chemical compound with molecular formula C10H9ClO4 and molecular weight 228.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-chlorobenzene-1,3-dicarboxylate
Also Known As: Dimethyl 2-chloroisophthalate, dimethyl chloroisophthalate, dimethyl 2-chlorobenzene-1,3-dicarboxylate, Dimethyl 2-chloroisophthalate #, 1,3-Benzenedicarboxylic acid, 2-chloro-, 1,3-dimethyl ester
| Molecular Formula | C10H9ClO4 |
|---|---|
| Molecular Weight | 228.02 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 228.01894 |
| Heavy Atoms | 15 |
| Complexity | 230.0 |
Chemical Identifiers
| CAS Number | 60047-40-7 |
|---|---|
| SMILES | COC(=O)C1=C(C(=CC=C1)C(=O)OC)Cl |
| InChIKey | GYYDONBDGBHVTE-UHFFFAOYSA-N |
Product Overview
Dimethyl 2-chloroisophthalate (CAS 60047-40-7), with molecular formula C10H9ClO4 and molecular weight 228.02 g/mol. IUPAC: dimethyl 2-chlorobenzene-1,3-dicarboxylate.
Chemical Property Profile of Dimethyl 2-chloroisophthalate
Property Insights of Dimethyl 2-chloroisophthalate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 2-chloroisophthalate. With a topological polar surface area (TPSA) of 52.6 Ų, Dimethyl 2-chloroisophthalate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl 2-chloroisophthalate has 0 hydrogen bond donor(s) and 4 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-chloroisophthalate?
The CAS number of Dimethyl 2-chloroisophthalate is 60047-40-7.
What is the molecular formula of Dimethyl 2-chloroisophthalate?
The molecular formula of Dimethyl 2-chloroisophthalate is C10H9ClO4.
What is the molecular weight of Dimethyl 2-chloroisophthalate?
The molecular weight of Dimethyl 2-chloroisophthalate is 228.02 g/mol.
Where can I buy Dimethyl 2-chloroisophthalate?
You can request a quote for Dimethyl 2-chloroisophthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 2-chloroisophthalate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2-chloroisophthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.