N-(3,4-difluorophenyl)-3-oxobutanamide
TL;DR: N-(3,4-difluorophenyl)-3-oxobutanamide (CAS 414872-57-4) is a chemical compound with molecular formula C10H9F2NO2 and molecular weight 213.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3,4-difluorophenyl)-3-oxobutanamide
Also Known As: N-(3,4-difluorophenyl)-3-oxobutanamide, N-(3,4-Difluoro-phenyl)-3-oxo-butyramide, N-(3,4-difluorophenyl)-3-oxo-butanamide
| Molecular Formula | C10H9F2NO2 |
|---|---|
| Molecular Weight | 213.06 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 46.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 213.06013 |
| Heavy Atoms | 15 |
| Complexity | 258.0 |
Chemical Identifiers
| CAS Number | 414872-57-4 |
|---|---|
| SMILES | CC(=O)CC(=O)NC1=CC(=C(C=C1)F)F |
| InChIKey | KONWBQBDOHKZAL-UHFFFAOYSA-N |
Product Overview
N-(3,4-difluorophenyl)-3-oxobutanamide (CAS 414872-57-4), with molecular formula C10H9F2NO2 and molecular weight 213.06 g/mol. IUPAC: N-(3,4-difluorophenyl)-3-oxobutanamide.
Chemical Property Profile of N-(3,4-difluorophenyl)-3-oxobutanamide
Property Insights of N-(3,4-difluorophenyl)-3-oxobutanamide
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3,4-difluorophenyl)-3-oxobutanamide. With a topological polar surface area (TPSA) of 46.2 Ų, N-(3,4-difluorophenyl)-3-oxobutanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3,4-difluorophenyl)-3-oxobutanamide has 1 hydrogen bond donor(s) and 4 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 N-(3,4-difluorophenyl)-3-oxobutanamide?
The CAS number of N-(3,4-difluorophenyl)-3-oxobutanamide is 414872-57-4.
What is the molecular formula of N-(3,4-difluorophenyl)-3-oxobutanamide?
The molecular formula of N-(3,4-difluorophenyl)-3-oxobutanamide is C10H9F2NO2.
What is the molecular weight of N-(3,4-difluorophenyl)-3-oxobutanamide?
The molecular weight of N-(3,4-difluorophenyl)-3-oxobutanamide is 213.06 g/mol.
Where can I buy N-(3,4-difluorophenyl)-3-oxobutanamide?
You can request a quote for N-(3,4-difluorophenyl)-3-oxobutanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3,4-difluorophenyl)-3-oxobutanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3,4-difluorophenyl)-3-oxobutanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.