1-(3,4-Dichlorophenyl)-3-quinolin-8-ylurea
TL;DR: 1-(3,4-Dichlorophenyl)-3-quinolin-8-ylurea (CAS 85260-98-6) is a chemical compound with molecular formula C16H11Cl2N3O and molecular weight 331.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dichlorophenyl)-3-quinolin-8-ylurea
Also Known As: 1-(3,4-dichlorophenyl)-3-quinolin-8-ylurea, 1-(3,4-DICHLOROPHENYL)-3-(QUINOLIN-8-YL)UREA, [(3,4-dichlorophenyl)amino]-N-(8-quinolyl)carboxamide
| Molecular Formula | C16H11Cl2N3O |
|---|---|
| Molecular Weight | 331.03 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 54.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 331.02792 |
| Heavy Atoms | 22 |
| Complexity | 396.0 |
Chemical Identifiers
| CAS Number | 85260-98-6 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)NC(=O)NC3=CC(=C(C=C3)Cl)Cl)N=CC=C2 |
| InChIKey | BMUQHDNNGLRCRD-UHFFFAOYSA-N |
Product Overview
1-(3,4-Dichlorophenyl)-3-quinolin-8-ylurea (CAS 85260-98-6), with molecular formula C16H11Cl2N3O and molecular weight 331.03 g/mol. IUPAC: 1-(3,4-dichlorophenyl)-3-quinolin-8-ylurea.
Chemical Property Profile of 1-(3,4-Dichlorophenyl)-3-quinolin-8-ylurea
Property Insights of 1-(3,4-Dichlorophenyl)-3-quinolin-8-ylurea
The XLogP value of 4.6 indicates that 1-(3,4-Dichlorophenyl)-3-quinolin-8-ylurea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.0 Ų, 1-(3,4-Dichlorophenyl)-3-quinolin-8-ylurea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3,4-Dichlorophenyl)-3-quinolin-8-ylurea has 2 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 1-(3,4-Dichlorophenyl)-3-quinolin-8-ylurea?
The CAS number of 1-(3,4-Dichlorophenyl)-3-quinolin-8-ylurea is 85260-98-6.
What is the molecular formula of 1-(3,4-Dichlorophenyl)-3-quinolin-8-ylurea?
The molecular formula of 1-(3,4-Dichlorophenyl)-3-quinolin-8-ylurea is C16H11Cl2N3O.
What is the molecular weight of 1-(3,4-Dichlorophenyl)-3-quinolin-8-ylurea?
The molecular weight of 1-(3,4-Dichlorophenyl)-3-quinolin-8-ylurea is 331.03 g/mol.
Where can I buy 1-(3,4-Dichlorophenyl)-3-quinolin-8-ylurea?
You can request a quote for 1-(3,4-Dichlorophenyl)-3-quinolin-8-ylurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3,4-Dichlorophenyl)-3-quinolin-8-ylurea?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,4-Dichlorophenyl)-3-quinolin-8-ylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.