Dimethyl chloromalonate
TL;DR: Dimethyl chloromalonate (CAS 28868-76-0) is a chemical compound with molecular formula C5H7ClO4 and molecular weight 166.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-chloropropanedioate
Also Known As: Dimethyl chloromalonate, Dimethyl 2-chloromalonate, dimethyl 2-chloropropanedioate, dimethylchloromalonate, Dimethyl?chloromalonate
| Molecular Formula | C5H7ClO4 |
|---|---|
| Molecular Weight | 166.00 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 166.00328 |
| Heavy Atoms | 10 |
| Complexity | 129.0 |
Chemical Identifiers
| CAS Number | 28868-76-0 |
|---|---|
| SMILES | COC(=O)C(C(=O)OC)Cl |
| InChIKey | LNBQBURECUEBKZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dimethyl chloromalonate (CAS 28868-76-0), with molecular formula C5H7ClO4 and molecular weight 166.00 g/mol. IUPAC: dimethyl 2-chloropropanedioate.
Chemical Property Profile of Dimethyl chloromalonate
Property Insights of Dimethyl chloromalonate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl chloromalonate. With a topological polar surface area (TPSA) of 52.6 Ų, Dimethyl chloromalonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl chloromalonate 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 Dimethyl chloromalonate?
The CAS number of Dimethyl chloromalonate is 28868-76-0.
What is the molecular formula of Dimethyl chloromalonate?
The molecular formula of Dimethyl chloromalonate is C5H7ClO4.
What is the molecular weight of Dimethyl chloromalonate?
The molecular weight of Dimethyl chloromalonate is 166.00 g/mol.
Where can I buy Dimethyl chloromalonate?
You can request a quote for Dimethyl chloromalonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl chloromalonate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl chloromalonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.