Dimethyl 2,2-bis(4-chlorobenzyl)malonate
TL;DR: Dimethyl 2,2-bis(4-chlorobenzyl)malonate (CAS 2172-48-7) is a chemical compound with molecular formula C19H18Cl2O4 and molecular weight 380.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2,2-bis[(4-chlorophenyl)methyl]propanedioate
Also Known As: Dimethyl 2,2-bis(4-chlorobenzyl)malonate, Dimethyl 2,2-bis[(4-chlorophenyl)methyl]propanedioate, 666-191-3, RefChem:588130
| Molecular Formula | C19H18Cl2O4 |
|---|---|
| Molecular Weight | 380.06 g/mol |
| LogP | 4.111 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 380.05823 |
| Heavy Atoms | 25 |
| Complexity | 673.52435 |
Chemical Identifiers
| CAS Number | 2172-48-7 |
|---|---|
| SMILES | COC(=O)C(CC1=CC=C(C=C1)Cl)(CC2=CC=C(C=C2)Cl)C(=O)OC |
Product Overview
Dimethyl 2,2-bis(4-chlorobenzyl)malonate (CAS 2172-48-7), with molecular formula C19H18Cl2O4 and molecular weight 380.06 g/mol. IUPAC: dimethyl 2,2-bis[(4-chlorophenyl)methyl]propanedioate.
Chemical Property Profile of Dimethyl 2,2-bis(4-chlorobenzyl)malonate
Property Insights of Dimethyl 2,2-bis(4-chlorobenzyl)malonate
The XLogP value of 4.111 indicates that Dimethyl 2,2-bis(4-chlorobenzyl)malonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Dimethyl 2,2-bis(4-chlorobenzyl)malonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl 2,2-bis(4-chlorobenzyl)malonate 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 2,2-bis(4-chlorobenzyl)malonate?
The CAS number of Dimethyl 2,2-bis(4-chlorobenzyl)malonate is 2172-48-7.
What is the molecular formula of Dimethyl 2,2-bis(4-chlorobenzyl)malonate?
The molecular formula of Dimethyl 2,2-bis(4-chlorobenzyl)malonate is C19H18Cl2O4.
What is the molecular weight of Dimethyl 2,2-bis(4-chlorobenzyl)malonate?
The molecular weight of Dimethyl 2,2-bis(4-chlorobenzyl)malonate is 380.06 g/mol.
Where can I buy Dimethyl 2,2-bis(4-chlorobenzyl)malonate?
You can request a quote for Dimethyl 2,2-bis(4-chlorobenzyl)malonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 2,2-bis(4-chlorobenzyl)malonate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2,2-bis(4-chlorobenzyl)malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.