4-Fluoro-N-isopropylbenzamide
TL;DR: 4-Fluoro-N-isopropylbenzamide (CAS 70001-45-5) is a chemical compound with molecular formula C10H12FNO and molecular weight 181.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-fluoro-N-propan-2-ylbenzamide
Also Known As: 4-Fluoro-N-isopropylbenzamide, N-ISOPROPYL 4-FLUOROBENZAMIDE, 4-fluoro-N-propan-2-ylbenzamide, 4-fluoro-N-(propan-2-yl)benzamide, TimTec1_002988
| Molecular Formula | C10H12FNO |
|---|---|
| Molecular Weight | 181.09 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 181.09029 |
| Heavy Atoms | 13 |
| Complexity | 174.0 |
Chemical Identifiers
| CAS Number | 70001-45-5 |
|---|---|
| SMILES | CC(C)NC(=O)C1=CC=C(C=C1)F |
| InChIKey | UAYKRRFVQXRMSI-UHFFFAOYSA-N |
Product Overview
4-Fluoro-N-isopropylbenzamide (CAS 70001-45-5), with molecular formula C10H12FNO and molecular weight 181.09 g/mol. IUPAC: 4-fluoro-N-propan-2-ylbenzamide.
Chemical Property Profile of 4-Fluoro-N-isopropylbenzamide
Property Insights of 4-Fluoro-N-isopropylbenzamide
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Fluoro-N-isopropylbenzamide. With a topological polar surface area (TPSA) of 29.1 Ų, 4-Fluoro-N-isopropylbenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Fluoro-N-isopropylbenzamide has 1 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-Fluoro-N-isopropylbenzamide?
The CAS number of 4-Fluoro-N-isopropylbenzamide is 70001-45-5.
What is the molecular formula of 4-Fluoro-N-isopropylbenzamide?
The molecular formula of 4-Fluoro-N-isopropylbenzamide is C10H12FNO.
What is the molecular weight of 4-Fluoro-N-isopropylbenzamide?
The molecular weight of 4-Fluoro-N-isopropylbenzamide is 181.09 g/mol.
Where can I buy 4-Fluoro-N-isopropylbenzamide?
You can request a quote for 4-Fluoro-N-isopropylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Fluoro-N-isopropylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-Fluoro-N-isopropylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.