Malonic acid bis-(2-chloro-ethyl) ester
TL;DR: Malonic acid bis-(2-chloro-ethyl) ester (CAS 1605-30-7) is a chemical compound with molecular formula C7H10Cl2O4 and molecular weight 228.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(2-chloroethyl) propanedioate
Also Known As: Bis(2-chloroethyl) Propanedioate, Propanedioic acid, bis(2-chloroethyl) ester, MALONIC ACID BIS-(2-CHLORO-ETHYL) ESTER, 651-896-0, RefChem:800797
| Molecular Formula | C7H10Cl2O4 |
|---|---|
| Molecular Weight | 228.00 g/mol |
| LogP | 0.9405 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 227.99562 |
| Heavy Atoms | 13 |
| Complexity | 153.87547 |
Chemical Identifiers
| CAS Number | 1605-30-7 |
|---|---|
| SMILES | C(CCl)OC(=O)CC(=O)OCCCl |
Product Overview
Malonic acid bis-(2-chloro-ethyl) ester (CAS 1605-30-7), with molecular formula C7H10Cl2O4 and molecular weight 228.00 g/mol. IUPAC: bis(2-chloroethyl) propanedioate.
Chemical Property Profile of Malonic acid bis-(2-chloro-ethyl) ester
Property Insights of Malonic acid bis-(2-chloro-ethyl) ester
The XLogP value of 0.9405 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Malonic acid bis-(2-chloro-ethyl) ester. With a topological polar surface area (TPSA) of 52.6 Ų, Malonic acid bis-(2-chloro-ethyl) ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Malonic acid bis-(2-chloro-ethyl) ester 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 Malonic acid bis-(2-chloro-ethyl) ester?
The CAS number of Malonic acid bis-(2-chloro-ethyl) ester is 1605-30-7.
What is the molecular formula of Malonic acid bis-(2-chloro-ethyl) ester?
The molecular formula of Malonic acid bis-(2-chloro-ethyl) ester is C7H10Cl2O4.
What is the molecular weight of Malonic acid bis-(2-chloro-ethyl) ester?
The molecular weight of Malonic acid bis-(2-chloro-ethyl) ester is 228.00 g/mol.
Where can I buy Malonic acid bis-(2-chloro-ethyl) ester?
You can request a quote for Malonic acid bis-(2-chloro-ethyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Malonic acid bis-(2-chloro-ethyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Malonic acid bis-(2-chloro-ethyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.