4-Chloro-5-methyl-2-(propan-2-yl)phenyl (4-fluorophenyl)carbamate
TL;DR: 4-Chloro-5-methyl-2-(propan-2-yl)phenyl (4-fluorophenyl)carbamate (CAS 6672-41-9) is a chemical compound with molecular formula C17H17ClFNO2 and molecular weight 321.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chloro-5-methyl-2-propan-2-ylphenyl) N-(4-fluorophenyl)carbamate
Also Known As: 4-Chloro-5-methyl-2-(propan-2-yl)phenyl (4-fluorophenyl)carbamate, (4-chloro-5-methyl-2-propan-2-ylphenyl) N-(4-fluorophenyl)carbamate, 4-CHLORO-2-ISOPROPYL-5-METHYLPHENYL N-(4-FLUOROPHENYL)CARBAMATE
| Molecular Formula | C17H17ClFNO2 |
|---|---|
| Molecular Weight | 321.09 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 321.09317 |
| Heavy Atoms | 22 |
| Complexity | 372.0 |
Chemical Identifiers
| CAS Number | 6672-41-9 |
|---|---|
| SMILES | CC1=CC(=C(C=C1Cl)C(C)C)OC(=O)NC2=CC=C(C=C2)F |
| InChIKey | CBLHGYVUGJDXOV-UHFFFAOYSA-N |
Product Overview
4-Chloro-5-methyl-2-(propan-2-yl)phenyl (4-fluorophenyl)carbamate (CAS 6672-41-9), with molecular formula C17H17ClFNO2 and molecular weight 321.09 g/mol. IUPAC: (4-chloro-5-methyl-2-propan-2-ylphenyl) N-(4-fluorophenyl)carbamate.
Chemical Property Profile of 4-Chloro-5-methyl-2-(propan-2-yl)phenyl (4-fluorophenyl)carbamate
Property Insights of 4-Chloro-5-methyl-2-(propan-2-yl)phenyl (4-fluorophenyl)carbamate
The XLogP value of 5.3 indicates that 4-Chloro-5-methyl-2-(propan-2-yl)phenyl (4-fluorophenyl)carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, 4-Chloro-5-methyl-2-(propan-2-yl)phenyl (4-fluorophenyl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-5-methyl-2-(propan-2-yl)phenyl (4-fluorophenyl)carbamate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Chloro-5-methyl-2-(propan-2-yl)phenyl (4-fluorophenyl)carbamate?
The CAS number of 4-Chloro-5-methyl-2-(propan-2-yl)phenyl (4-fluorophenyl)carbamate is 6672-41-9.
What is the molecular formula of 4-Chloro-5-methyl-2-(propan-2-yl)phenyl (4-fluorophenyl)carbamate?
The molecular formula of 4-Chloro-5-methyl-2-(propan-2-yl)phenyl (4-fluorophenyl)carbamate is C17H17ClFNO2.
What is the molecular weight of 4-Chloro-5-methyl-2-(propan-2-yl)phenyl (4-fluorophenyl)carbamate?
The molecular weight of 4-Chloro-5-methyl-2-(propan-2-yl)phenyl (4-fluorophenyl)carbamate is 321.09 g/mol.
Where can I buy 4-Chloro-5-methyl-2-(propan-2-yl)phenyl (4-fluorophenyl)carbamate?
You can request a quote for 4-Chloro-5-methyl-2-(propan-2-yl)phenyl (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 4-Chloro-5-methyl-2-(propan-2-yl)phenyl (4-fluorophenyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-5-methyl-2-(propan-2-yl)phenyl (4-fluorophenyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.