Diethyl chloroethylmalonate
TL;DR: Diethyl chloroethylmalonate (CAS 29263-83-0) is a chemical compound with molecular formula C9H15ClO4 and molecular weight 222.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-chloro-2-ethylpropanedioate
Also Known As: Diethyl chloroethylmalonate, diethyl chloro(ethyl)malonate, DIETHYL ETHYLCHLOROMALONATE, diethyl 2-chloro-2-ethylpropanedioate, Boc-Phe-Ser-Arg-Amc-ACOH
| Molecular Formula | C9H15ClO4 |
|---|---|
| Molecular Weight | 222.07 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 222.06589 |
| Heavy Atoms | 14 |
| Complexity | 197.0 |
Chemical Identifiers
| CAS Number | 29263-83-0 |
|---|---|
| SMILES | CCC(C(=O)OCC)(C(=O)OCC)Cl |
| InChIKey | QDONGIRJVISTFJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl chloroethylmalonate (CAS 29263-83-0), with molecular formula C9H15ClO4 and molecular weight 222.07 g/mol. IUPAC: diethyl 2-chloro-2-ethylpropanedioate.
Chemical Property Profile of Diethyl chloroethylmalonate
Property Insights of Diethyl chloroethylmalonate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl chloroethylmalonate. With a topological polar surface area (TPSA) of 52.6 Ų, Diethyl chloroethylmalonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl chloroethylmalonate 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 Diethyl chloroethylmalonate?
The CAS number of Diethyl chloroethylmalonate is 29263-83-0.
What is the molecular formula of Diethyl chloroethylmalonate?
The molecular formula of Diethyl chloroethylmalonate is C9H15ClO4.
What is the molecular weight of Diethyl chloroethylmalonate?
The molecular weight of Diethyl chloroethylmalonate is 222.07 g/mol.
Where can I buy Diethyl chloroethylmalonate?
You can request a quote for Diethyl chloroethylmalonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl chloroethylmalonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl chloroethylmalonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.