anthranilamide compound 1
TL;DR: anthranilamide compound 1 (CAS 216985-39-6) is a chemical compound with molecular formula C23H16ClFN2O2S and molecular weight 438.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N-[2-[(4-fluorophenyl)carbamoyl]-4-methylphenyl]-1-benzothiophene-2-carboxamide
Also Known As: anthranilamide compound 1, J1.545.737F, 3-chloro-N-[2-[(4-fluorophenyl)carbamoyl]-4-methylphenyl]-1-benzothiophene-2-carboxamide, 3-chloro-N-{2-[(4-fluorophenyl)carbamoyl]-4-methylphenyl}-1-benzothiophene-2-carboxamide, Benzo[b]thiophene-2-carboxamide, 3-chloro-N-[2-[[(4-fluorophenyl)amino]carbonyl]-4-methylphenyl]-
| Molecular Formula | C23H16ClFN2O2S |
|---|---|
| Molecular Weight | 438.06 g/mol |
| LogP | 6.50682 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 438.06052 |
| Heavy Atoms | 30 |
| Complexity | 1268.1847 |
Chemical Identifiers
| CAS Number | 216985-39-6 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)NC(=O)C2=C(C3=CC=CC=C3S2)Cl)C(=O)NC4=CC=C(C=C4)F |
Product Overview
anthranilamide compound 1 (CAS 216985-39-6), with molecular formula C23H16ClFN2O2S and molecular weight 438.06 g/mol. IUPAC: 3-chloro-N-[2-[(4-fluorophenyl)carbamoyl]-4-methylphenyl]-1-benzothiophene-2-carboxamide.
Chemical Property Profile of anthranilamide compound 1
Property Insights of anthranilamide compound 1
The XLogP value of 6.50682 indicates that anthranilamide compound 1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.2 Ų, anthranilamide compound 1 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, anthranilamide compound 1 has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of anthranilamide compound 1?
The CAS number of anthranilamide compound 1 is 216985-39-6.
What is the molecular formula of anthranilamide compound 1?
The molecular formula of anthranilamide compound 1 is C23H16ClFN2O2S.
What is the molecular weight of anthranilamide compound 1?
The molecular weight of anthranilamide compound 1 is 438.06 g/mol.
Where can I buy anthranilamide compound 1?
You can request a quote for anthranilamide compound 1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for anthranilamide compound 1?
Yes, KEHONG BIO provides custom synthesis services for anthranilamide compound 1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.