Diethyl (1-naphthyl)methylmalonate
TL;DR: Diethyl (1-naphthyl)methylmalonate (CAS 2107-84-8) is a chemical compound with molecular formula C18H20O4 and molecular weight 300.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-(naphthalen-1-ylmethyl)propanedioate
Also Known As: diethyl (1-naphthyl)methylmalonate, diethyl (1-naphthylmethyl)malonate, Dimethyl 2-(naphthalen-1-ylmethyl)malonate, alpha-naphthylmethylmalonic acid diethyl ester, 2-(1-naphthylmethyl)malonic acid diethyl ester
| Molecular Formula | C18H20O4 |
|---|---|
| Molecular Weight | 300.14 g/mol |
| LogP | 3.1247 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 300.13617 |
| Heavy Atoms | 22 |
| Complexity | 639.6897 |
Chemical Identifiers
| CAS Number | 2107-84-8 |
|---|---|
| SMILES | CCOC(=O)C(CC1=CC=CC2=CC=CC=C21)C(=O)OCC |
Product Overview
Diethyl (1-naphthyl)methylmalonate (CAS 2107-84-8), with molecular formula C18H20O4 and molecular weight 300.14 g/mol. IUPAC: diethyl 2-(naphthalen-1-ylmethyl)propanedioate.
Chemical Property Profile of Diethyl (1-naphthyl)methylmalonate
Property Insights of Diethyl (1-naphthyl)methylmalonate
The XLogP value of 3.1247 indicates that Diethyl (1-naphthyl)methylmalonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Diethyl (1-naphthyl)methylmalonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl (1-naphthyl)methylmalonate 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 Diethyl (1-naphthyl)methylmalonate?
The CAS number of Diethyl (1-naphthyl)methylmalonate is 2107-84-8.
What is the molecular formula of Diethyl (1-naphthyl)methylmalonate?
The molecular formula of Diethyl (1-naphthyl)methylmalonate is C18H20O4.
What is the molecular weight of Diethyl (1-naphthyl)methylmalonate?
The molecular weight of Diethyl (1-naphthyl)methylmalonate is 300.14 g/mol.
Where can I buy Diethyl (1-naphthyl)methylmalonate?
You can request a quote for Diethyl (1-naphthyl)methylmalonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl (1-naphthyl)methylmalonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl (1-naphthyl)methylmalonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.