Dimethyl 2-(4-aminophenyl)malonate
TL;DR: Dimethyl 2-(4-aminophenyl)malonate (CAS 183473-82-7) is a chemical compound with molecular formula C11H13NO4 and molecular weight 223.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-(4-aminophenyl)propanedioate
Also Known As: dimethyl 2-(4-aminophenyl)malonate, 7-Phenyl-purin, dimethylaminophenylmalonate, Dimethyl (4-aminophenyl)malonate, dimethyl 2-(4-aminophenyl)propanedioate
| Molecular Formula | C11H13NO4 |
|---|---|
| Molecular Weight | 223.08 g/mol |
| LogP | 0.6984 |
| Topological Polar Surface Area | 78.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 223.08446 |
| Heavy Atoms | 16 |
| Complexity | 369.47595 |
Chemical Identifiers
| CAS Number | 183473-82-7 |
|---|---|
| SMILES | COC(=O)C(C1=CC=C(C=C1)N)C(=O)OC |
Product Overview
Dimethyl 2-(4-aminophenyl)malonate (CAS 183473-82-7), with molecular formula C11H13NO4 and molecular weight 223.08 g/mol. IUPAC: dimethyl 2-(4-aminophenyl)propanedioate.
Chemical Property Profile of Dimethyl 2-(4-aminophenyl)malonate
Property Insights of Dimethyl 2-(4-aminophenyl)malonate
The XLogP value of 0.6984 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 2-(4-aminophenyl)malonate. The TPSA of 78.62 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 2-(4-aminophenyl)malonate. Following Lipinski's Rule of Five, Dimethyl 2-(4-aminophenyl)malonate 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 Dimethyl 2-(4-aminophenyl)malonate?
The CAS number of Dimethyl 2-(4-aminophenyl)malonate is 183473-82-7.
What is the molecular formula of Dimethyl 2-(4-aminophenyl)malonate?
The molecular formula of Dimethyl 2-(4-aminophenyl)malonate is C11H13NO4.
What is the molecular weight of Dimethyl 2-(4-aminophenyl)malonate?
The molecular weight of Dimethyl 2-(4-aminophenyl)malonate is 223.08 g/mol.
Where can I buy Dimethyl 2-(4-aminophenyl)malonate?
You can request a quote for Dimethyl 2-(4-aminophenyl)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-(4-aminophenyl)malonate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2-(4-aminophenyl)malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.