1-(4-fluorobenzyl)isatin
TL;DR: 1-(4-fluorobenzyl)isatin (CAS 313247-00-6) is a chemical compound with molecular formula C18H9Cl2F3N4OS and molecular weight 455.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N-(3-chlorophenyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
Also Known As: 1-(4-fluorobenzyl)isatin, BAS 00481754, 3-chloro-N-(3-chlorophenyl)-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide, 3-chloro-N-(3-chlorophenyl)-5-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide, F0452-5561
| Molecular Formula | C18H9Cl2F3N4OS |
|---|---|
| Molecular Weight | 455.98 g/mol |
| LogP | 6.0357 |
| Topological Polar Surface Area | 59.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 455.98264 |
| Heavy Atoms | 29 |
| Complexity | 1222.0475 |
Chemical Identifiers
| CAS Number | 313247-00-6 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)NC(=O)C2=NN3C(=CC(=NC3=C2Cl)C4=CC=CS4)C(F)(F)F |
Product Overview
1-(4-fluorobenzyl)isatin (CAS 313247-00-6), with molecular formula C18H9Cl2F3N4OS and molecular weight 455.98 g/mol. IUPAC: 3-chloro-N-(3-chlorophenyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
Chemical Property Profile of 1-(4-fluorobenzyl)isatin
Property Insights of 1-(4-fluorobenzyl)isatin
The XLogP value of 6.0357 indicates that 1-(4-fluorobenzyl)isatin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.29 Ų, 1-(4-fluorobenzyl)isatin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-fluorobenzyl)isatin has 1 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 1-(4-fluorobenzyl)isatin?
The CAS number of 1-(4-fluorobenzyl)isatin is 313247-00-6.
What is the molecular formula of 1-(4-fluorobenzyl)isatin?
The molecular formula of 1-(4-fluorobenzyl)isatin is C18H9Cl2F3N4OS.
What is the molecular weight of 1-(4-fluorobenzyl)isatin?
The molecular weight of 1-(4-fluorobenzyl)isatin is 455.98 g/mol.
Where can I buy 1-(4-fluorobenzyl)isatin?
You can request a quote for 1-(4-fluorobenzyl)isatin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-fluorobenzyl)isatin?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-fluorobenzyl)isatin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.