Isobutyl 2-(benzoyl-3-chloro-4-fluoroanilino)propanoate
TL;DR: Isobutyl 2-(benzoyl-3-chloro-4-fluoroanilino)propanoate (CAS 1008080-46-3) is a chemical compound with molecular formula C20H21ClFNO3 and molecular weight 377.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpropyl 2-(N-benzoyl-3-chloro-4-fluoroanilino)propanoate
Also Known As: isobutyl 2-(benzoyl-3-chloro-4-fluoroanilino)propanoate, 2-methylpropyl 2-(N-benzoyl-3-chloro-4-fluoroanilino)propanoate, 2-methylpropyl 2-[N-(3-chloro-4-fluorophenyl)-1-phenylformamido]propanoate, isobutyl 2-(N-benzoyl-3-chloro-4-fluoro-anilino)propanoate, 2-methylpropyl2-[N-(3-chloro-4-fluorophenyl)-1-phenylformamido]propanoate
| Molecular Formula | C20H21ClFNO3 |
|---|---|
| Molecular Weight | 377.12 g/mol |
| LogP | 4.7136 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 377.1194 |
| Heavy Atoms | 26 |
| Complexity | 779.8807 |
Chemical Identifiers
| CAS Number | 1008080-46-3 |
|---|---|
| SMILES | CC(C)COC(=O)C(C)N(C1=CC(=C(C=C1)F)Cl)C(=O)C2=CC=CC=C2 |
Product Overview
Isobutyl 2-(benzoyl-3-chloro-4-fluoroanilino)propanoate (CAS 1008080-46-3), with molecular formula C20H21ClFNO3 and molecular weight 377.12 g/mol. IUPAC: 2-methylpropyl 2-(N-benzoyl-3-chloro-4-fluoroanilino)propanoate.
Chemical Property Profile of Isobutyl 2-(benzoyl-3-chloro-4-fluoroanilino)propanoate
Property Insights of Isobutyl 2-(benzoyl-3-chloro-4-fluoroanilino)propanoate
The XLogP value of 4.7136 indicates that Isobutyl 2-(benzoyl-3-chloro-4-fluoroanilino)propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.61 Ų, Isobutyl 2-(benzoyl-3-chloro-4-fluoroanilino)propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isobutyl 2-(benzoyl-3-chloro-4-fluoroanilino)propanoate has 0 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 Isobutyl 2-(benzoyl-3-chloro-4-fluoroanilino)propanoate?
The CAS number of Isobutyl 2-(benzoyl-3-chloro-4-fluoroanilino)propanoate is 1008080-46-3.
What is the molecular formula of Isobutyl 2-(benzoyl-3-chloro-4-fluoroanilino)propanoate?
The molecular formula of Isobutyl 2-(benzoyl-3-chloro-4-fluoroanilino)propanoate is C20H21ClFNO3.
What is the molecular weight of Isobutyl 2-(benzoyl-3-chloro-4-fluoroanilino)propanoate?
The molecular weight of Isobutyl 2-(benzoyl-3-chloro-4-fluoroanilino)propanoate is 377.12 g/mol.
Where can I buy Isobutyl 2-(benzoyl-3-chloro-4-fluoroanilino)propanoate?
You can request a quote for Isobutyl 2-(benzoyl-3-chloro-4-fluoroanilino)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isobutyl 2-(benzoyl-3-chloro-4-fluoroanilino)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Isobutyl 2-(benzoyl-3-chloro-4-fluoroanilino)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.