Methyl 2-(4-fluoro-3-methylnaphthalene-1-carbonyl)-3-methylbenzoate
TL;DR: Methyl 2-(4-fluoro-3-methylnaphthalene-1-carbonyl)-3-methylbenzoate (CAS 37113-10-3) is a chemical compound with molecular formula C21H17FO3 and molecular weight 336.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(4-fluoro-3-methylnaphthalene-1-carbonyl)-3-methylbenzoate
Also Known As: methyl 2-(4-fluoro-3-methylnaphthalene-1-carbonyl)-3-methylbenzoate, methyl 2-(4-fluoro-3-methylnaphthalene-1-carbonyl)-3-methylb, methyl 2-(4-fluoro-3-methyl-naphthalene-1-carbonyl)-3-methyl-benzoate
| Molecular Formula | C21H17FO3 |
|---|---|
| Molecular Weight | 336.12 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 336.11618 |
| Heavy Atoms | 25 |
| Complexity | 505.0 |
Chemical Identifiers
| CAS Number | 37113-10-3 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C(=O)OC)C(=O)C2=CC(=C(C3=CC=CC=C32)F)C |
| InChIKey | KNNVLBKJTBREDP-UHFFFAOYSA-N |
Product Overview
Methyl 2-(4-fluoro-3-methylnaphthalene-1-carbonyl)-3-methylbenzoate (CAS 37113-10-3), with molecular formula C21H17FO3 and molecular weight 336.12 g/mol. IUPAC: methyl 2-(4-fluoro-3-methylnaphthalene-1-carbonyl)-3-methylbenzoate.
Chemical Property Profile of Methyl 2-(4-fluoro-3-methylnaphthalene-1-carbonyl)-3-methylbenzoate
Property Insights of Methyl 2-(4-fluoro-3-methylnaphthalene-1-carbonyl)-3-methylbenzoate
The XLogP value of 5.2 indicates that Methyl 2-(4-fluoro-3-methylnaphthalene-1-carbonyl)-3-methylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, Methyl 2-(4-fluoro-3-methylnaphthalene-1-carbonyl)-3-methylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-(4-fluoro-3-methylnaphthalene-1-carbonyl)-3-methylbenzoate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl 2-(4-fluoro-3-methylnaphthalene-1-carbonyl)-3-methylbenzoate?
The CAS number of Methyl 2-(4-fluoro-3-methylnaphthalene-1-carbonyl)-3-methylbenzoate is 37113-10-3.
What is the molecular formula of Methyl 2-(4-fluoro-3-methylnaphthalene-1-carbonyl)-3-methylbenzoate?
The molecular formula of Methyl 2-(4-fluoro-3-methylnaphthalene-1-carbonyl)-3-methylbenzoate is C21H17FO3.
What is the molecular weight of Methyl 2-(4-fluoro-3-methylnaphthalene-1-carbonyl)-3-methylbenzoate?
The molecular weight of Methyl 2-(4-fluoro-3-methylnaphthalene-1-carbonyl)-3-methylbenzoate is 336.12 g/mol.
Where can I buy Methyl 2-(4-fluoro-3-methylnaphthalene-1-carbonyl)-3-methylbenzoate?
You can request a quote for Methyl 2-(4-fluoro-3-methylnaphthalene-1-carbonyl)-3-methylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(4-fluoro-3-methylnaphthalene-1-carbonyl)-3-methylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(4-fluoro-3-methylnaphthalene-1-carbonyl)-3-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.