VU0079564-2
TL;DR: VU0079564-2 (CAS 422273-38-9) is a chemical compound with molecular formula C24H24ClN3O2S and molecular weight 453.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2-chlorophenyl)methyl]-N-[2-(cyclohexen-1-yl)ethyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
Also Known As: VU0079564-2, F3168-1614, 3-[(2-chlorophenyl)methyl]-N-[2-(cyclohex-1-en-1-yl)ethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide, 3-(2-chlorobenzyl)-N-(2-(cyclohex-1-en-1-yl)ethyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide, 3-[(2-chlorophenyl)methyl]-N-[2-(cyclohexen-1-yl)ethyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
| Molecular Formula | C24H24ClN3O2S |
|---|---|
| Molecular Weight | 453.13 g/mol |
| LogP | 5.38109 |
| Topological Polar Surface Area | 66.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 453.12778 |
| Heavy Atoms | 31 |
| Complexity | 1275.7899 |
Chemical Identifiers
| CAS Number | 422273-38-9 |
|---|---|
| SMILES | C1CCC(=CC1)CCNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC=CC=C4Cl |
Product Overview
VU0079564-2 (CAS 422273-38-9), with molecular formula C24H24ClN3O2S and molecular weight 453.13 g/mol. IUPAC: 3-[(2-chlorophenyl)methyl]-N-[2-(cyclohexen-1-yl)ethyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide.
Chemical Property Profile of VU0079564-2
Property Insights of VU0079564-2
The XLogP value of 5.38109 indicates that VU0079564-2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.89 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0079564-2. Following Lipinski's Rule of Five, VU0079564-2 has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of VU0079564-2?
The CAS number of VU0079564-2 is 422273-38-9.
What is the molecular formula of VU0079564-2?
The molecular formula of VU0079564-2 is C24H24ClN3O2S.
What is the molecular weight of VU0079564-2?
The molecular weight of VU0079564-2 is 453.13 g/mol.
Where can I buy VU0079564-2?
You can request a quote for VU0079564-2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0079564-2?
Yes, KEHONG BIO provides custom synthesis services for VU0079564-2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.