1-Chloromethyl-2-methylnaphthalene
TL;DR: 1-Chloromethyl-2-methylnaphthalene (CAS 332905-74-5) is a chemical compound with molecular formula C24H23FN2O4S and molecular weight 454.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-[(2,4-dimethylphenyl)carbamoyl]-2-[(3-fluorobenzoyl)amino]-4-methylthiophene-3-carboxylate
Also Known As: 1-Chloromethyl-2-methylnaphthalene, BAS 01547591, ethyl 5-[(2,4-dimethylphenyl)carbamoyl]-2-(3-fluorobenzamido)-4-methylthiophene-3-carboxylate, ethyl 5-((2,4-dimethylphenyl)carbamoyl)-2-(3-fluorobenzamido)-4-methylthiophene-3-carboxylate, ethyl 5-[(2,4-dimethylphenyl)carbamoyl]-2-[(3-fluorobenzoyl)amino]-4-methylthiophene-3-carboxylate
| Molecular Formula | C24H23FN2O4S |
|---|---|
| Molecular Weight | 454.14 g/mol |
| LogP | 5.49376 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 454.13626 |
| Heavy Atoms | 32 |
| Complexity | 1202.7051 |
Chemical Identifiers
| CAS Number | 332905-74-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=C(C=C(C=C2)C)C)NC(=O)C3=CC(=CC=C3)F |
Product Overview
1-Chloromethyl-2-methylnaphthalene (CAS 332905-74-5), with molecular formula C24H23FN2O4S and molecular weight 454.14 g/mol. IUPAC: ethyl 5-[(2,4-dimethylphenyl)carbamoyl]-2-[(3-fluorobenzoyl)amino]-4-methylthiophene-3-carboxylate.
Chemical Property Profile of 1-Chloromethyl-2-methylnaphthalene
Property Insights of 1-Chloromethyl-2-methylnaphthalene
The XLogP value of 5.49376 indicates that 1-Chloromethyl-2-methylnaphthalene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Chloromethyl-2-methylnaphthalene. Following Lipinski's Rule of Five, 1-Chloromethyl-2-methylnaphthalene has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Chloromethyl-2-methylnaphthalene?
The CAS number of 1-Chloromethyl-2-methylnaphthalene is 332905-74-5.
What is the molecular formula of 1-Chloromethyl-2-methylnaphthalene?
The molecular formula of 1-Chloromethyl-2-methylnaphthalene is C24H23FN2O4S.
What is the molecular weight of 1-Chloromethyl-2-methylnaphthalene?
The molecular weight of 1-Chloromethyl-2-methylnaphthalene is 454.14 g/mol.
Where can I buy 1-Chloromethyl-2-methylnaphthalene?
You can request a quote for 1-Chloromethyl-2-methylnaphthalene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Chloromethyl-2-methylnaphthalene?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloromethyl-2-methylnaphthalene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.