Butyl-carbamic acid 4-fluoro-phenyl ester
TL;DR: Butyl-carbamic acid 4-fluoro-phenyl ester (CAS 199583-95-4) is a chemical compound with molecular formula C11H14FNO2 and molecular weight 211.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-fluorophenyl) N-butylcarbamate
Also Known As: 4-fluorophenyl butylcarbamate, (4-fluorophenyl) N-butylcarbamate, 4-fluorophenyl n-butylcarbamate, Butyl-carbamic acid 4-fluoro-phenyl ester
| Molecular Formula | C11H14FNO2 |
|---|---|
| Molecular Weight | 211.10 g/mol |
| LogP | 2.7142 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 211.10086 |
| Heavy Atoms | 15 |
| Complexity | 310.8689 |
Chemical Identifiers
| CAS Number | 199583-95-4 |
|---|---|
| SMILES | CCCCNC(=O)OC1=CC=C(C=C1)F |
Product Overview
Butyl-carbamic acid 4-fluoro-phenyl ester (CAS 199583-95-4), with molecular formula C11H14FNO2 and molecular weight 211.10 g/mol. IUPAC: (4-fluorophenyl) N-butylcarbamate.
Chemical Property Profile of Butyl-carbamic acid 4-fluoro-phenyl ester
Property Insights of Butyl-carbamic acid 4-fluoro-phenyl ester
The XLogP value of 2.7142 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl-carbamic acid 4-fluoro-phenyl ester. With a topological polar surface area (TPSA) of 38.33 Ų, Butyl-carbamic acid 4-fluoro-phenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl-carbamic acid 4-fluoro-phenyl ester 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 Butyl-carbamic acid 4-fluoro-phenyl ester?
The CAS number of Butyl-carbamic acid 4-fluoro-phenyl ester is 199583-95-4.
What is the molecular formula of Butyl-carbamic acid 4-fluoro-phenyl ester?
The molecular formula of Butyl-carbamic acid 4-fluoro-phenyl ester is C11H14FNO2.
What is the molecular weight of Butyl-carbamic acid 4-fluoro-phenyl ester?
The molecular weight of Butyl-carbamic acid 4-fluoro-phenyl ester is 211.10 g/mol.
Where can I buy Butyl-carbamic acid 4-fluoro-phenyl ester?
You can request a quote for Butyl-carbamic acid 4-fluoro-phenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl-carbamic acid 4-fluoro-phenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Butyl-carbamic acid 4-fluoro-phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.