Isopropyl (4-fluorophenyl)carbamate
TL;DR: Isopropyl (4-fluorophenyl)carbamate (CAS 457-79-4) is a chemical compound with molecular formula C10H12FNO2 and molecular weight 197.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl N-(4-fluorophenyl)carbamate
Also Known As: ethyl 3-methylphenylcarbamate, Isopropyl (4-fluorophenyl)carbamate, isopropyl 4-fluorophenylcarbamate, propan-2-yl(4-fluorophenyl)carbamate, propan-2-yl N-(4-fluorophenyl)carbamate
| Molecular Formula | C10H12FNO2 |
|---|---|
| Molecular Weight | 197.09 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 197.0852 |
| Heavy Atoms | 14 |
| Complexity | 189.0 |
Chemical Identifiers
| CAS Number | 457-79-4 |
|---|---|
| SMILES | CC(C)OC(=O)NC1=CC=C(C=C1)F |
| InChIKey | XTCWVXQYEJCVEN-UHFFFAOYSA-N |
Product Overview
Isopropyl (4-fluorophenyl)carbamate (CAS 457-79-4), with molecular formula C10H12FNO2 and molecular weight 197.09 g/mol. IUPAC: propan-2-yl N-(4-fluorophenyl)carbamate.
Chemical Property Profile of Isopropyl (4-fluorophenyl)carbamate
Property Insights of Isopropyl (4-fluorophenyl)carbamate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isopropyl (4-fluorophenyl)carbamate. With a topological polar surface area (TPSA) of 38.3 Ų, Isopropyl (4-fluorophenyl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopropyl (4-fluorophenyl)carbamate 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 Isopropyl (4-fluorophenyl)carbamate?
The CAS number of Isopropyl (4-fluorophenyl)carbamate is 457-79-4.
What is the molecular formula of Isopropyl (4-fluorophenyl)carbamate?
The molecular formula of Isopropyl (4-fluorophenyl)carbamate is C10H12FNO2.
What is the molecular weight of Isopropyl (4-fluorophenyl)carbamate?
The molecular weight of Isopropyl (4-fluorophenyl)carbamate is 197.09 g/mol.
Where can I buy Isopropyl (4-fluorophenyl)carbamate?
You can request a quote for Isopropyl (4-fluorophenyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopropyl (4-fluorophenyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for Isopropyl (4-fluorophenyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.