C27H18Cl2N4O
TL;DR: C27H18Cl2N4O (CAS 83408-61-1) is a chemical compound with molecular formula C27H18Cl2N4O and molecular weight 484.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-amino-2-chlorophenyl)-2-[4-[(4-chlorophenyl)methylideneamino]phenyl]quinazolin-4-one
Also Known As: 3-(4-Amino-2-chlorophenyl)-2-(4-(((4-chlorophenyl)methylene)amino)phenyl)-4(3H)-quinazolinone, 4(3H)-Quinazolinone, 3-(4-amino-2-chlorophenyl)-2-(4-(((4-chlorophenyl)methylene)amino)phenyl)-, 3-(4-amino-2-chlorophenyl)-2-[4-[(4-chlorophenyl)methylideneamino]phenyl]quinazolin-4-one, BRN 4596733
| Molecular Formula | C27H18Cl2N4O |
|---|---|
| Molecular Weight | 484.09 g/mol |
| LogP | 6.0 |
| Topological Polar Surface Area | 71.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 484.08575 |
| Heavy Atoms | 34 |
| Complexity | 773.0 |
Chemical Identifiers
| CAS Number | 83408-61-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C(=N2)C3=CC=C(C=C3)N=CC4=CC=C(C=C4)Cl)C5=C(C=C(C=C5)N)Cl |
| InChIKey | IKWIPIIHFNFMLG-UHFFFAOYSA-N |
Product Overview
C27H18Cl2N4O (CAS 83408-61-1), with molecular formula C27H18Cl2N4O and molecular weight 484.09 g/mol. IUPAC: 3-(4-amino-2-chlorophenyl)-2-[4-[(4-chlorophenyl)methylideneamino]phenyl]quinazolin-4-one.
Chemical Property Profile of C27H18Cl2N4O
Property Insights of C27H18Cl2N4O
The XLogP value of 6.0 indicates that C27H18Cl2N4O is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for C27H18Cl2N4O. Following Lipinski's Rule of Five, C27H18Cl2N4O has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C27H18Cl2N4O?
The CAS number of C27H18Cl2N4O is 83408-61-1.
What is the molecular formula of C27H18Cl2N4O?
The molecular formula of C27H18Cl2N4O is C27H18Cl2N4O.
What is the molecular weight of C27H18Cl2N4O?
The molecular weight of C27H18Cl2N4O is 484.09 g/mol.
Where can I buy C27H18Cl2N4O?
You can request a quote for C27H18Cl2N4O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C27H18Cl2N4O?
Yes, KEHONG BIO provides custom synthesis services for C27H18Cl2N4O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.