Bis(2-chloroethyl) 2-methylidenebutanedioate
TL;DR: Bis(2-chloroethyl) 2-methylidenebutanedioate (CAS 155669-73-1) is a chemical compound with molecular formula C9H12Cl2O4 and molecular weight 254.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(2-chloroethyl) 2-methylidenebutanedioate
Also Known As: bis(2-chloroethyl) 2-methylidenebutanedioate, Itaconic acid bis(2-chloroethyl) ester, J2.015.197H, 2-Methylenebutanedioic acid bis(2-chloroethyl) ester, 1,4-BIS(2-CHLOROETHYL) 2-METHYLIDENEBUTANEDIOATE
| Molecular Formula | C9H12Cl2O4 |
|---|---|
| Molecular Weight | 254.01 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 254.01126 |
| Heavy Atoms | 15 |
| Complexity | 240.0 |
Chemical Identifiers
| CAS Number | 155669-73-1 |
|---|---|
| SMILES | C=C(CC(=O)OCCCl)C(=O)OCCCl |
| InChIKey | KGISSZJZXPWHMQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bis(2-chloroethyl) 2-methylidenebutanedioate (CAS 155669-73-1), with molecular formula C9H12Cl2O4 and molecular weight 254.01 g/mol. IUPAC: bis(2-chloroethyl) 2-methylidenebutanedioate.
Chemical Property Profile of Bis(2-chloroethyl) 2-methylidenebutanedioate
Property Insights of Bis(2-chloroethyl) 2-methylidenebutanedioate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bis(2-chloroethyl) 2-methylidenebutanedioate. With a topological polar surface area (TPSA) of 52.6 Ų, Bis(2-chloroethyl) 2-methylidenebutanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bis(2-chloroethyl) 2-methylidenebutanedioate 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) 2-methylidenebutanedioate?
The CAS number of Bis(2-chloroethyl) 2-methylidenebutanedioate is 155669-73-1.
What is the molecular formula of Bis(2-chloroethyl) 2-methylidenebutanedioate?
The molecular formula of Bis(2-chloroethyl) 2-methylidenebutanedioate is C9H12Cl2O4.
What is the molecular weight of Bis(2-chloroethyl) 2-methylidenebutanedioate?
The molecular weight of Bis(2-chloroethyl) 2-methylidenebutanedioate is 254.01 g/mol.
Where can I buy Bis(2-chloroethyl) 2-methylidenebutanedioate?
You can request a quote for Bis(2-chloroethyl) 2-methylidenebutanedioate 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) 2-methylidenebutanedioate?
Yes, KEHONG BIO provides custom synthesis services for Bis(2-chloroethyl) 2-methylidenebutanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.