Diethyl methyl(naphthalen-1-ylmethyl)propanedioate
TL;DR: Diethyl methyl(naphthalen-1-ylmethyl)propanedioate (CAS 45122-45-0) is a chemical compound with molecular formula C19H22O4 and molecular weight 314.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-methyl-2-(naphthalen-1-ylmethyl)propanedioate
Also Known As: diethyl methyl(naphthalen-1-ylmethyl)propanedioate, diethyl 2-methyl-2-(naphthalen-1-ylmethyl)propanedioate, J1.980.225F, Diethyl methyl[(naphthalen-1-yl)methyl]propanedioate, (2R)-2-acetamido-3-(2-oxopropylsulfanyl)propanoic acid
| Molecular Formula | C19H22O4 |
|---|---|
| Molecular Weight | 314.15 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 314.1518 |
| Heavy Atoms | 23 |
| Complexity | 400.0 |
Chemical Identifiers
| CAS Number | 45122-45-0 |
|---|---|
| SMILES | CCOC(=O)C(C)(CC1=CC=CC2=CC=CC=C21)C(=O)OCC |
| InChIKey | BCYBXIIEYVHCLE-UHFFFAOYSA-N |
Product Overview
Diethyl methyl(naphthalen-1-ylmethyl)propanedioate (CAS 45122-45-0), with molecular formula C19H22O4 and molecular weight 314.15 g/mol. IUPAC: diethyl 2-methyl-2-(naphthalen-1-ylmethyl)propanedioate.
Chemical Property Profile of Diethyl methyl(naphthalen-1-ylmethyl)propanedioate
Property Insights of Diethyl methyl(naphthalen-1-ylmethyl)propanedioate
The XLogP value of 4.5 indicates that Diethyl methyl(naphthalen-1-ylmethyl)propanedioate 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 methyl(naphthalen-1-ylmethyl)propanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl methyl(naphthalen-1-ylmethyl)propanedioate 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 methyl(naphthalen-1-ylmethyl)propanedioate?
The CAS number of Diethyl methyl(naphthalen-1-ylmethyl)propanedioate is 45122-45-0.
What is the molecular formula of Diethyl methyl(naphthalen-1-ylmethyl)propanedioate?
The molecular formula of Diethyl methyl(naphthalen-1-ylmethyl)propanedioate is C19H22O4.
What is the molecular weight of Diethyl methyl(naphthalen-1-ylmethyl)propanedioate?
The molecular weight of Diethyl methyl(naphthalen-1-ylmethyl)propanedioate is 314.15 g/mol.
Where can I buy Diethyl methyl(naphthalen-1-ylmethyl)propanedioate?
You can request a quote for Diethyl methyl(naphthalen-1-ylmethyl)propanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl methyl(naphthalen-1-ylmethyl)propanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl methyl(naphthalen-1-ylmethyl)propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.