Diethyl 2-(((ethoxycarbonyl)amino)(phenyl)methyl)malonate
TL;DR: Diethyl 2-(((ethoxycarbonyl)amino)(phenyl)methyl)malonate (CAS 87537-24-4) is a chemical compound with molecular formula C17H23NO6 and molecular weight 337.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[(ethoxycarbonylamino)-phenylmethyl]propanedioate
Also Known As: AB01331984-02, diethyl 2-(((ethoxycarbonyl)amino)(phenyl)methyl)malonate, diethyl 2-[(ethoxycarbonylamino)-phenylmethyl]propanedioate, diethyl {[(ethoxycarbonyl)amino](phenyl)methyl}propanedioate
| Molecular Formula | C17H23NO6 |
|---|---|
| Molecular Weight | 337.15 g/mol |
| LogP | 2.2162 |
| Topological Polar Surface Area | 90.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 337.15253 |
| Heavy Atoms | 24 |
| Complexity | 527.27155 |
Chemical Identifiers
| CAS Number | 87537-24-4 |
|---|---|
| SMILES | CCOC(=O)C(C(C1=CC=CC=C1)NC(=O)OCC)C(=O)OCC |
Product Overview
Diethyl 2-(((ethoxycarbonyl)amino)(phenyl)methyl)malonate (CAS 87537-24-4), with molecular formula C17H23NO6 and molecular weight 337.15 g/mol. IUPAC: diethyl 2-[(ethoxycarbonylamino)-phenylmethyl]propanedioate.
Chemical Property Profile of Diethyl 2-(((ethoxycarbonyl)amino)(phenyl)methyl)malonate
Property Insights of Diethyl 2-(((ethoxycarbonyl)amino)(phenyl)methyl)malonate
The XLogP value of 2.2162 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2-(((ethoxycarbonyl)amino)(phenyl)methyl)malonate. The TPSA of 90.93 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2-(((ethoxycarbonyl)amino)(phenyl)methyl)malonate. Following Lipinski's Rule of Five, Diethyl 2-(((ethoxycarbonyl)amino)(phenyl)methyl)malonate has 1 hydrogen bond donor(s) and 6 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 2-(((ethoxycarbonyl)amino)(phenyl)methyl)malonate?
The CAS number of Diethyl 2-(((ethoxycarbonyl)amino)(phenyl)methyl)malonate is 87537-24-4.
What is the molecular formula of Diethyl 2-(((ethoxycarbonyl)amino)(phenyl)methyl)malonate?
The molecular formula of Diethyl 2-(((ethoxycarbonyl)amino)(phenyl)methyl)malonate is C17H23NO6.
What is the molecular weight of Diethyl 2-(((ethoxycarbonyl)amino)(phenyl)methyl)malonate?
The molecular weight of Diethyl 2-(((ethoxycarbonyl)amino)(phenyl)methyl)malonate is 337.15 g/mol.
Where can I buy Diethyl 2-(((ethoxycarbonyl)amino)(phenyl)methyl)malonate?
You can request a quote for Diethyl 2-(((ethoxycarbonyl)amino)(phenyl)methyl)malonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2-(((ethoxycarbonyl)amino)(phenyl)methyl)malonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-(((ethoxycarbonyl)amino)(phenyl)methyl)malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.