Bis(2-chloroethyl) hexanedioate
TL;DR: Bis(2-chloroethyl) hexanedioate (CAS 7744-81-2) is a chemical compound with molecular formula C10H16Cl2O4 and molecular weight 270.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(2-chloroethyl) hexanedioate
Also Known As: Bis(2-chloroethyl) hexanedioate, bis(2-chloroethyl) adipate, Bis(2-chloroethyl) hexanedioate #, Hexanedioic acid, bis(2-chloroethyl) ester, Hexanedioicacid, 1,6-bis(2-chloroethyl) ester
| Molecular Formula | C10H16Cl2O4 |
|---|---|
| Molecular Weight | 270.04 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 270.04257 |
| Heavy Atoms | 16 |
| Complexity | 187.0 |
Chemical Identifiers
| CAS Number | 7744-81-2 |
|---|---|
| SMILES | C(CCC(=O)OCCCl)CC(=O)OCCCl |
| InChIKey | WLORHGNITQGZGZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bis(2-chloroethyl) hexanedioate (CAS 7744-81-2), with molecular formula C10H16Cl2O4 and molecular weight 270.04 g/mol. IUPAC: bis(2-chloroethyl) hexanedioate.
Chemical Property Profile of Bis(2-chloroethyl) hexanedioate
Property Insights of Bis(2-chloroethyl) hexanedioate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bis(2-chloroethyl) hexanedioate. With a topological polar surface area (TPSA) of 52.6 Ų, Bis(2-chloroethyl) hexanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bis(2-chloroethyl) hexanedioate 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 Bis(2-chloroethyl) hexanedioate?
The CAS number of Bis(2-chloroethyl) hexanedioate is 7744-81-2.
What is the molecular formula of Bis(2-chloroethyl) hexanedioate?
The molecular formula of Bis(2-chloroethyl) hexanedioate is C10H16Cl2O4.
What is the molecular weight of Bis(2-chloroethyl) hexanedioate?
The molecular weight of Bis(2-chloroethyl) hexanedioate is 270.04 g/mol.
Where can I buy Bis(2-chloroethyl) hexanedioate?
You can request a quote for Bis(2-chloroethyl) hexanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(2-chloroethyl) hexanedioate?
Yes, KEHONG BIO provides custom synthesis services for Bis(2-chloroethyl) hexanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.