1-Isoquinolyl N-(4-fluorophenyl)carbamate
TL;DR: 1-Isoquinolyl N-(4-fluorophenyl)carbamate (CAS 200123-47-3) is a chemical compound with molecular formula C16H11FN2O2 and molecular weight 282.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
isoquinolin-1-yl N-(4-fluorophenyl)carbamate
Also Known As: Isoquinolin-1-yl N-(4-fluorophenyl)carbamate, 1-ISOQUINOLYL N-(4-FLUOROPHENYL)CARBAMATE, carbamic acid,(4-fluorophenyl)-,1-isoquinolinyl ester, Carbamic acid, (4-fluorophenyl)-, 1-isoquinolinyl ester (9CI)
| Molecular Formula | C16H11FN2O2 |
|---|---|
| Molecular Weight | 282.08 g/mol |
| LogP | 3.9848 |
| Topological Polar Surface Area | 51.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 282.08044 |
| Heavy Atoms | 21 |
| Complexity | 782.3938 |
Chemical Identifiers
| CAS Number | 200123-47-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CN=C2OC(=O)NC3=CC=C(C=C3)F |
Product Overview
1-Isoquinolyl N-(4-fluorophenyl)carbamate (CAS 200123-47-3), with molecular formula C16H11FN2O2 and molecular weight 282.08 g/mol. IUPAC: isoquinolin-1-yl N-(4-fluorophenyl)carbamate.
Chemical Property Profile of 1-Isoquinolyl N-(4-fluorophenyl)carbamate
Property Insights of 1-Isoquinolyl N-(4-fluorophenyl)carbamate
The XLogP value of 3.9848 indicates that 1-Isoquinolyl N-(4-fluorophenyl)carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.22 Ų, 1-Isoquinolyl N-(4-fluorophenyl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Isoquinolyl N-(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 1-Isoquinolyl N-(4-fluorophenyl)carbamate?
The CAS number of 1-Isoquinolyl N-(4-fluorophenyl)carbamate is 200123-47-3.
What is the molecular formula of 1-Isoquinolyl N-(4-fluorophenyl)carbamate?
The molecular formula of 1-Isoquinolyl N-(4-fluorophenyl)carbamate is C16H11FN2O2.
What is the molecular weight of 1-Isoquinolyl N-(4-fluorophenyl)carbamate?
The molecular weight of 1-Isoquinolyl N-(4-fluorophenyl)carbamate is 282.08 g/mol.
Where can I buy 1-Isoquinolyl N-(4-fluorophenyl)carbamate?
You can request a quote for 1-Isoquinolyl N-(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 1-Isoquinolyl N-(4-fluorophenyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for 1-Isoquinolyl N-(4-fluorophenyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.