(S)-4-Methoxy-3-(naphthalen-1-ylmethyl)-4-oxobutanoic acid
TL;DR: (S)-4-Methoxy-3-(naphthalen-1-ylmethyl)-4-oxobutanoic acid (CAS 130693-96-8) is a chemical compound with molecular formula C16H16O4 and molecular weight 272.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-4-methoxy-3-(naphthalen-1-ylmethyl)-4-oxobutanoic acid
Also Known As: (S)-2-(1-Naphthylmethyl)succinic acid-1-methyl ester, (S)-4-Methoxy-3-(naphthalen-1-ylmethyl)-4-oxobutanoic acid, J1.859.513C, (3S)-3-(methoxycarbonyl)-4-naphthylbutanoic acid, (3S)-4-methoxy-3-[(naphthalen-1-yl)methyl]-4-oxobutanoic acid
| Molecular Formula | C16H16O4 |
|---|---|
| Molecular Weight | 272.10 g/mol |
| LogP | 2.6462 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 272.10486 |
| Heavy Atoms | 20 |
| Complexity | 627.9144 |
Chemical Identifiers
| CAS Number | 130693-96-8 |
|---|---|
| SMILES | COC(=O)[C@@H](CC1=CC=CC2=CC=CC=C21)CC(=O)O |
Product Overview
(S)-4-Methoxy-3-(naphthalen-1-ylmethyl)-4-oxobutanoic acid (CAS 130693-96-8), with molecular formula C16H16O4 and molecular weight 272.10 g/mol. IUPAC: (3S)-4-methoxy-3-(naphthalen-1-ylmethyl)-4-oxobutanoic acid.
Chemical Property Profile of (S)-4-Methoxy-3-(naphthalen-1-ylmethyl)-4-oxobutanoic acid
Property Insights of (S)-4-Methoxy-3-(naphthalen-1-ylmethyl)-4-oxobutanoic acid
The XLogP value of 2.6462 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-4-Methoxy-3-(naphthalen-1-ylmethyl)-4-oxobutanoic acid. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-4-Methoxy-3-(naphthalen-1-ylmethyl)-4-oxobutanoic acid. Following Lipinski's Rule of Five, (S)-4-Methoxy-3-(naphthalen-1-ylmethyl)-4-oxobutanoic acid has 1 hydrogen bond donor(s) and 3 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 (S)-4-Methoxy-3-(naphthalen-1-ylmethyl)-4-oxobutanoic acid?
The CAS number of (S)-4-Methoxy-3-(naphthalen-1-ylmethyl)-4-oxobutanoic acid is 130693-96-8.
What is the molecular formula of (S)-4-Methoxy-3-(naphthalen-1-ylmethyl)-4-oxobutanoic acid?
The molecular formula of (S)-4-Methoxy-3-(naphthalen-1-ylmethyl)-4-oxobutanoic acid is C16H16O4.
What is the molecular weight of (S)-4-Methoxy-3-(naphthalen-1-ylmethyl)-4-oxobutanoic acid?
The molecular weight of (S)-4-Methoxy-3-(naphthalen-1-ylmethyl)-4-oxobutanoic acid is 272.10 g/mol.
Where can I buy (S)-4-Methoxy-3-(naphthalen-1-ylmethyl)-4-oxobutanoic acid?
You can request a quote for (S)-4-Methoxy-3-(naphthalen-1-ylmethyl)-4-oxobutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-4-Methoxy-3-(naphthalen-1-ylmethyl)-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (S)-4-Methoxy-3-(naphthalen-1-ylmethyl)-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.