Bis(2-chloroethyl) nonanedioate
TL;DR: Bis(2-chloroethyl) nonanedioate (CAS 7769-33-7) is a chemical compound with molecular formula C13H22Cl2O4 and molecular weight 312.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(2-chloroethyl) nonanedioate
Also Known As: bis(2-chloroethyl) nonanedioate, NCIOpen2_007769, Nonanedioic acid,1,9-bis(2-chloroethyl) ester, Nonanedioic acid,1,9-bis(2-chloroethyl)ester
| Molecular Formula | C13H22Cl2O4 |
|---|---|
| Molecular Weight | 312.09 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 14 |
| Exact Mass | 312.0895 |
| Heavy Atoms | 19 |
| Complexity | 223.0 |
Chemical Identifiers
| CAS Number | 7769-33-7 |
|---|---|
| SMILES | C(CCCC(=O)OCCCl)CCCC(=O)OCCCl |
| InChIKey | JBOTUGFOUOKZJI-UHFFFAOYSA-N |
Product Overview
Bis(2-chloroethyl) nonanedioate (CAS 7769-33-7), with molecular formula C13H22Cl2O4 and molecular weight 312.09 g/mol. IUPAC: bis(2-chloroethyl) nonanedioate.
Chemical Property Profile of Bis(2-chloroethyl) nonanedioate
Property Insights of Bis(2-chloroethyl) nonanedioate
The XLogP value of 3.4 indicates that Bis(2-chloroethyl) nonanedioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Bis(2-chloroethyl) nonanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bis(2-chloroethyl) nonanedioate 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) nonanedioate?
The CAS number of Bis(2-chloroethyl) nonanedioate is 7769-33-7.
What is the molecular formula of Bis(2-chloroethyl) nonanedioate?
The molecular formula of Bis(2-chloroethyl) nonanedioate is C13H22Cl2O4.
What is the molecular weight of Bis(2-chloroethyl) nonanedioate?
The molecular weight of Bis(2-chloroethyl) nonanedioate is 312.09 g/mol.
Where can I buy Bis(2-chloroethyl) nonanedioate?
You can request a quote for Bis(2-chloroethyl) nonanedioate 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) nonanedioate?
Yes, KEHONG BIO provides custom synthesis services for Bis(2-chloroethyl) nonanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.