Diisopropyl chloromalonate
TL;DR: Diisopropyl chloromalonate (CAS 195209-93-9) 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.
dipropan-2-yl 2-chloropropanedioate
Also Known As: DIISOPROPYL CHLOROMALONATE, Diisopropylchloromalonate, diisopropyl 2-chloromalonate, dipropan-2-yl 2-chloropropanedioate, Dipropan-2-yl chloropropanedioatato
| Molecular Formula | C9H15ClO4 |
|---|---|
| Molecular Weight | 222.07 g/mol |
| LogP | 1.497 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 222.06589 |
| Heavy Atoms | 14 |
| Complexity | 190.8575 |
Chemical Identifiers
| CAS Number | 195209-93-9 |
|---|---|
| SMILES | CC(C)OC(=O)C(C(=O)OC(C)C)Cl |
Product Overview
Diisopropyl chloromalonate (CAS 195209-93-9), with molecular formula C9H15ClO4 and molecular weight 222.07 g/mol. IUPAC: dipropan-2-yl 2-chloropropanedioate.
Chemical Property Profile of Diisopropyl chloromalonate
Property Insights of Diisopropyl chloromalonate
The XLogP value of 1.497 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diisopropyl chloromalonate. With a topological polar surface area (TPSA) of 52.6 Ų, Diisopropyl chloromalonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diisopropyl 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 Diisopropyl chloromalonate?
The CAS number of Diisopropyl chloromalonate is 195209-93-9.
What is the molecular formula of Diisopropyl chloromalonate?
The molecular formula of Diisopropyl chloromalonate is C9H15ClO4.
What is the molecular weight of Diisopropyl chloromalonate?
The molecular weight of Diisopropyl chloromalonate is 222.07 g/mol.
Where can I buy Diisopropyl chloromalonate?
You can request a quote for Diisopropyl chloromalonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diisopropyl chloromalonate?
Yes, KEHONG BIO provides custom synthesis services for Diisopropyl chloromalonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.