2-Chloro-6-fluorobenzyl 3-(isobutyrylamino)benzoate
TL;DR: 2-Chloro-6-fluorobenzyl 3-(isobutyrylamino)benzoate (CAS 723251-24-9) is a chemical compound with molecular formula C18H17ClFNO3 and molecular weight 349.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-chloro-6-fluorophenyl)methyl 3-(2-methylpropanoylamino)benzoate
Also Known As: 2-chloro-6-fluorobenzyl 3-(isobutyrylamino)benzoate, (2-chloro-6-fluorophenyl)methyl 3-(2-methylpropanoylamino)benzoate, (6-chloro-2-fluorophenyl)methyl 3-(2-methylpropanoylamino)benzoate
| Molecular Formula | C18H17ClFNO3 |
|---|---|
| Molecular Weight | 349.09 g/mol |
| LogP | 4.4306 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 349.0881 |
| Heavy Atoms | 24 |
| Complexity | 741.42914 |
Chemical Identifiers
| CAS Number | 723251-24-9 |
|---|---|
| SMILES | CC(C)C(=O)NC1=CC=CC(=C1)C(=O)OCC2=C(C=CC=C2Cl)F |
Product Overview
2-Chloro-6-fluorobenzyl 3-(isobutyrylamino)benzoate (CAS 723251-24-9), with molecular formula C18H17ClFNO3 and molecular weight 349.09 g/mol. IUPAC: (2-chloro-6-fluorophenyl)methyl 3-(2-methylpropanoylamino)benzoate.
Chemical Property Profile of 2-Chloro-6-fluorobenzyl 3-(isobutyrylamino)benzoate
Property Insights of 2-Chloro-6-fluorobenzyl 3-(isobutyrylamino)benzoate
The XLogP value of 4.4306 indicates that 2-Chloro-6-fluorobenzyl 3-(isobutyrylamino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, 2-Chloro-6-fluorobenzyl 3-(isobutyrylamino)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-6-fluorobenzyl 3-(isobutyrylamino)benzoate has 1 hydrogen bond donor(s) and 3 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 2-Chloro-6-fluorobenzyl 3-(isobutyrylamino)benzoate?
The CAS number of 2-Chloro-6-fluorobenzyl 3-(isobutyrylamino)benzoate is 723251-24-9.
What is the molecular formula of 2-Chloro-6-fluorobenzyl 3-(isobutyrylamino)benzoate?
The molecular formula of 2-Chloro-6-fluorobenzyl 3-(isobutyrylamino)benzoate is C18H17ClFNO3.
What is the molecular weight of 2-Chloro-6-fluorobenzyl 3-(isobutyrylamino)benzoate?
The molecular weight of 2-Chloro-6-fluorobenzyl 3-(isobutyrylamino)benzoate is 349.09 g/mol.
Where can I buy 2-Chloro-6-fluorobenzyl 3-(isobutyrylamino)benzoate?
You can request a quote for 2-Chloro-6-fluorobenzyl 3-(isobutyrylamino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-6-fluorobenzyl 3-(isobutyrylamino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-6-fluorobenzyl 3-(isobutyrylamino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.