![Diethyl 2-(acetylamino)-2-[4-(methoxycarbonyl)benzyl]malonate structure](/static/products/1095/109564-46-7.webp)
Diethyl 2-(acetylamino)-2-[4-(methoxycarbonyl)benzyl]malonate
TL;DR: Diethyl 2-(acetylamino)-2-[4-(methoxycarbonyl)benzyl]malonate (CAS 109564-46-7) is a chemical compound with molecular formula C18H23NO7 and molecular weight 365.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-acetamido-2-[(4-methoxycarbonylphenyl)methyl]propanedioate
Also Known As: Bionet1_001099, diethyl 2-(acetylamino)-2-[4-(methoxycarbonyl)benzyl]malonate, diethyl 2-acetamido-2-[(4-methoxycarbonylphenyl)methyl]propanedioate, 12G-002, 1,3-diethyl 2-acetamido-2-{[4-(methoxycarbonyl)phenyl]methyl}propanedioate
| Molecular Formula | C18H23NO7 |
|---|---|
| Molecular Weight | 365.15 g/mol |
| LogP | 1.0168 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 365.14746 |
| Heavy Atoms | 26 |
| Complexity | 648.62213 |
Chemical Identifiers
| CAS Number | 109564-46-7 |
|---|---|
| SMILES | CCOC(=O)C(CC1=CC=C(C=C1)C(=O)OC)(C(=O)OCC)NC(=O)C |
Product Overview
Diethyl 2-(acetylamino)-2-[4-(methoxycarbonyl)benzyl]malonate (CAS 109564-46-7), with molecular formula C18H23NO7 and molecular weight 365.15 g/mol. IUPAC: diethyl 2-acetamido-2-[(4-methoxycarbonylphenyl)methyl]propanedioate.
Chemical Property Profile of Diethyl 2-(acetylamino)-2-[4-(methoxycarbonyl)benzyl]malonate
Property Insights of Diethyl 2-(acetylamino)-2-[4-(methoxycarbonyl)benzyl]malonate
The XLogP value of 1.0168 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2-(acetylamino)-2-[4-(methoxycarbonyl)benzyl]malonate. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2-(acetylamino)-2-[4-(methoxycarbonyl)benzyl]malonate. Following Lipinski's Rule of Five, Diethyl 2-(acetylamino)-2-[4-(methoxycarbonyl)benzyl]malonate has 1 hydrogen bond donor(s) and 7 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-(acetylamino)-2-[4-(methoxycarbonyl)benzyl]malonate?
The CAS number of Diethyl 2-(acetylamino)-2-[4-(methoxycarbonyl)benzyl]malonate is 109564-46-7.
What is the molecular formula of Diethyl 2-(acetylamino)-2-[4-(methoxycarbonyl)benzyl]malonate?
The molecular formula of Diethyl 2-(acetylamino)-2-[4-(methoxycarbonyl)benzyl]malonate is C18H23NO7.
What is the molecular weight of Diethyl 2-(acetylamino)-2-[4-(methoxycarbonyl)benzyl]malonate?
The molecular weight of Diethyl 2-(acetylamino)-2-[4-(methoxycarbonyl)benzyl]malonate is 365.15 g/mol.
Where can I buy Diethyl 2-(acetylamino)-2-[4-(methoxycarbonyl)benzyl]malonate?
You can request a quote for Diethyl 2-(acetylamino)-2-[4-(methoxycarbonyl)benzyl]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-(acetylamino)-2-[4-(methoxycarbonyl)benzyl]malonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-(acetylamino)-2-[4-(methoxycarbonyl)benzyl]malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.