Diethyl (4-amino-3-chlorophenyl)methylmalonate
TL;DR: Diethyl (4-amino-3-chlorophenyl)methylmalonate (CAS 25814-36-2) is a chemical compound with molecular formula C14H18ClNO4 and molecular weight 299.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[(4-amino-3-chlorophenyl)methyl]propanedioate
Also Known As: Diethyl (4-amino-3-chlorophenyl)methylmalonate, diethyl(4-amino-3-chlorobenzyl)propanedioate, Diethyl [(4-amino-3-chlorophenyl)methyl]propanedioate, diethyl 2-[(4-amino-3-chlorophenyl)methyl]propanedioate, 1,3-Diethyl 2-(4-amino-3-chlorophenyl)-2-methylpropanedioate
| Molecular Formula | C14H18ClNO4 |
|---|---|
| Molecular Weight | 299.09 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 78.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 299.09244 |
| Heavy Atoms | 20 |
| Complexity | 319.0 |
Chemical Identifiers
| CAS Number | 25814-36-2 |
|---|---|
| SMILES | CCOC(=O)C(CC1=CC(=C(C=C1)N)Cl)C(=O)OCC |
| InChIKey | AGTISSMCQXEKEI-UHFFFAOYSA-N |
Product Overview
Diethyl (4-amino-3-chlorophenyl)methylmalonate (CAS 25814-36-2), with molecular formula C14H18ClNO4 and molecular weight 299.09 g/mol. IUPAC: diethyl 2-[(4-amino-3-chlorophenyl)methyl]propanedioate.
Chemical Property Profile of Diethyl (4-amino-3-chlorophenyl)methylmalonate
Property Insights of Diethyl (4-amino-3-chlorophenyl)methylmalonate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl (4-amino-3-chlorophenyl)methylmalonate. The TPSA of 78.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl (4-amino-3-chlorophenyl)methylmalonate. Following Lipinski's Rule of Five, Diethyl (4-amino-3-chlorophenyl)methylmalonate has 1 hydrogen bond donor(s) and 5 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 (4-amino-3-chlorophenyl)methylmalonate?
The CAS number of Diethyl (4-amino-3-chlorophenyl)methylmalonate is 25814-36-2.
What is the molecular formula of Diethyl (4-amino-3-chlorophenyl)methylmalonate?
The molecular formula of Diethyl (4-amino-3-chlorophenyl)methylmalonate is C14H18ClNO4.
What is the molecular weight of Diethyl (4-amino-3-chlorophenyl)methylmalonate?
The molecular weight of Diethyl (4-amino-3-chlorophenyl)methylmalonate is 299.09 g/mol.
Where can I buy Diethyl (4-amino-3-chlorophenyl)methylmalonate?
You can request a quote for Diethyl (4-amino-3-chlorophenyl)methylmalonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl (4-amino-3-chlorophenyl)methylmalonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl (4-amino-3-chlorophenyl)methylmalonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.