4-chloro-1-(2-fluorobenzyl)-7-methyl-1H-indole-2,3-dione
TL;DR: 4-chloro-1-(2-fluorobenzyl)-7-methyl-1H-indole-2,3-dione (CAS 904504-67-2) is a chemical compound with molecular formula C16H11ClFNO2 and molecular weight 303.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-1-[(2-fluorophenyl)methyl]-7-methylindole-2,3-dione
Also Known As: 4-chloro-1-(2-fluorobenzyl)-7-methylindoline-2,3-dione, 4-chloro-1-(2-fluorobenzyl)-7-methyl-1H-indole-2,3-dione, 4-chloro-1-[(2-fluorophenyl)methyl]-7-methylindole-2,3-dione
| Molecular Formula | C16H11ClFNO2 |
|---|---|
| Molecular Weight | 303.05 g/mol |
| LogP | 3.51702 |
| Topological Polar Surface Area | 37.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 303.04623 |
| Heavy Atoms | 21 |
| Complexity | 772.86743 |
Chemical Identifiers
| CAS Number | 904504-67-2 |
|---|---|
| SMILES | CC1=C2C(=C(C=C1)Cl)C(=O)C(=O)N2CC3=CC=CC=C3F |
Product Overview
4-chloro-1-(2-fluorobenzyl)-7-methyl-1H-indole-2,3-dione (CAS 904504-67-2), with molecular formula C16H11ClFNO2 and molecular weight 303.05 g/mol. IUPAC: 4-chloro-1-[(2-fluorophenyl)methyl]-7-methylindole-2,3-dione.
Chemical Property Profile of 4-chloro-1-(2-fluorobenzyl)-7-methyl-1H-indole-2,3-dione
Property Insights of 4-chloro-1-(2-fluorobenzyl)-7-methyl-1H-indole-2,3-dione
The XLogP value of 3.51702 indicates that 4-chloro-1-(2-fluorobenzyl)-7-methyl-1H-indole-2,3-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.38 Ų, 4-chloro-1-(2-fluorobenzyl)-7-methyl-1H-indole-2,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-chloro-1-(2-fluorobenzyl)-7-methyl-1H-indole-2,3-dione has 0 hydrogen bond donor(s) and 2 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 4-chloro-1-(2-fluorobenzyl)-7-methyl-1H-indole-2,3-dione?
The CAS number of 4-chloro-1-(2-fluorobenzyl)-7-methyl-1H-indole-2,3-dione is 904504-67-2.
What is the molecular formula of 4-chloro-1-(2-fluorobenzyl)-7-methyl-1H-indole-2,3-dione?
The molecular formula of 4-chloro-1-(2-fluorobenzyl)-7-methyl-1H-indole-2,3-dione is C16H11ClFNO2.
What is the molecular weight of 4-chloro-1-(2-fluorobenzyl)-7-methyl-1H-indole-2,3-dione?
The molecular weight of 4-chloro-1-(2-fluorobenzyl)-7-methyl-1H-indole-2,3-dione is 303.05 g/mol.
Where can I buy 4-chloro-1-(2-fluorobenzyl)-7-methyl-1H-indole-2,3-dione?
You can request a quote for 4-chloro-1-(2-fluorobenzyl)-7-methyl-1H-indole-2,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-chloro-1-(2-fluorobenzyl)-7-methyl-1H-indole-2,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 4-chloro-1-(2-fluorobenzyl)-7-methyl-1H-indole-2,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.