Dimethyl 2,5-dichlorohexanedioate
TL;DR: Dimethyl 2,5-dichlorohexanedioate (CAS 19856-35-0) is a chemical compound with molecular formula C8H12Cl2O4 and molecular weight 242.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2,5-dichlorohexanedioate
Also Known As: dimethyl 2,5-dichlorohexanedioate, alpha,alpha'-Dichloroadipic acid dimethyl ester, 1,6-dimethyl 2,5-dichlorohexanedioate, 2,5-Dichloroadipic acid dimethyl ester, 2,5-Dichlorohexanedioic acid dimethyl ester
| Molecular Formula | C8H12Cl2O4 |
|---|---|
| Molecular Weight | 242.01 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 242.01126 |
| Heavy Atoms | 14 |
| Complexity | 186.0 |
Chemical Identifiers
| CAS Number | 19856-35-0 |
|---|---|
| SMILES | COC(=O)C(CCC(C(=O)OC)Cl)Cl |
| InChIKey | LZZAVDUOZHTOMA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dimethyl 2,5-dichlorohexanedioate (CAS 19856-35-0), with molecular formula C8H12Cl2O4 and molecular weight 242.01 g/mol. IUPAC: dimethyl 2,5-dichlorohexanedioate.
Chemical Property Profile of Dimethyl 2,5-dichlorohexanedioate
Property Insights of Dimethyl 2,5-dichlorohexanedioate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 2,5-dichlorohexanedioate. With a topological polar surface area (TPSA) of 52.6 Ų, Dimethyl 2,5-dichlorohexanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl 2,5-dichlorohexanedioate 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 2,5-dichlorohexanedioate?
The CAS number of Dimethyl 2,5-dichlorohexanedioate is 19856-35-0.
What is the molecular formula of Dimethyl 2,5-dichlorohexanedioate?
The molecular formula of Dimethyl 2,5-dichlorohexanedioate is C8H12Cl2O4.
What is the molecular weight of Dimethyl 2,5-dichlorohexanedioate?
The molecular weight of Dimethyl 2,5-dichlorohexanedioate is 242.01 g/mol.
Where can I buy Dimethyl 2,5-dichlorohexanedioate?
You can request a quote for Dimethyl 2,5-dichlorohexanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 2,5-dichlorohexanedioate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2,5-dichlorohexanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.