Diethyl-carbamic acid 5,7-dibromo-quinolin-8-yl ester
TL;DR: Diethyl-carbamic acid 5,7-dibromo-quinolin-8-yl ester (CAS 21607-97-6) is a chemical compound with molecular formula C14H14Br2N2O2 and molecular weight 399.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5,7-dibromoquinolin-8-yl) N,N-diethylcarbamate
Also Known As: BAS 01550247, 5,7-dibromoquinolin-8-yl diethylcarbamate, 5,7-dibromoquinolin-8-yl N,N-diethylcarbamate, Diethyl-carbamic acid 5,7-dibromo-quinolin-8-yl ester, (5,7-dibromoquinolin-8-yl) N,N-diethylcarbamate
| Molecular Formula | C14H14Br2N2O2 |
|---|---|
| Molecular Weight | 399.94 g/mol |
| LogP | 4.6004 |
| Topological Polar Surface Area | 42.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 399.9422 |
| Heavy Atoms | 20 |
| Complexity | 642.3517 |
Chemical Identifiers
| CAS Number | 21607-97-6 |
|---|---|
| SMILES | CCN(CC)C(=O)OC1=C(C=C(C2=C1N=CC=C2)Br)Br |
Product Overview
Diethyl-carbamic acid 5,7-dibromo-quinolin-8-yl ester (CAS 21607-97-6), with molecular formula C14H14Br2N2O2 and molecular weight 399.94 g/mol. IUPAC: (5,7-dibromoquinolin-8-yl) N,N-diethylcarbamate.
Chemical Property Profile of Diethyl-carbamic acid 5,7-dibromo-quinolin-8-yl ester
Property Insights of Diethyl-carbamic acid 5,7-dibromo-quinolin-8-yl ester
The XLogP value of 4.6004 indicates that Diethyl-carbamic acid 5,7-dibromo-quinolin-8-yl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.43 Ų, Diethyl-carbamic acid 5,7-dibromo-quinolin-8-yl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl-carbamic acid 5,7-dibromo-quinolin-8-yl ester has 0 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 Diethyl-carbamic acid 5,7-dibromo-quinolin-8-yl ester?
The CAS number of Diethyl-carbamic acid 5,7-dibromo-quinolin-8-yl ester is 21607-97-6.
What is the molecular formula of Diethyl-carbamic acid 5,7-dibromo-quinolin-8-yl ester?
The molecular formula of Diethyl-carbamic acid 5,7-dibromo-quinolin-8-yl ester is C14H14Br2N2O2.
What is the molecular weight of Diethyl-carbamic acid 5,7-dibromo-quinolin-8-yl ester?
The molecular weight of Diethyl-carbamic acid 5,7-dibromo-quinolin-8-yl ester is 399.94 g/mol.
Where can I buy Diethyl-carbamic acid 5,7-dibromo-quinolin-8-yl ester?
You can request a quote for Diethyl-carbamic acid 5,7-dibromo-quinolin-8-yl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl-carbamic acid 5,7-dibromo-quinolin-8-yl ester?
Yes, KEHONG BIO provides custom synthesis services for Diethyl-carbamic acid 5,7-dibromo-quinolin-8-yl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.