VU0512549-1
TL;DR: VU0512549-1 (CAS 422283-38-3) is a chemical compound with molecular formula C23H27ClN4O2S and molecular weight 458.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[butyl(methyl)amino]ethyl]-3-[(4-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
Also Known As: VU0512549-1, F3168-1754, N-{2-[butyl(methyl)amino]ethyl}-3-[(4-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide, 3-(4-chlorobenzyl)-N-(2-(butyl(methyl)amino)ethyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide, N-[2-[butyl(methyl)amino]ethyl]-3-[(4-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
| Molecular Formula | C23H27ClN4O2S |
|---|---|
| Molecular Weight | 458.15 g/mol |
| LogP | 4.22249 |
| Topological Polar Surface Area | 70.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 458.15433 |
| Heavy Atoms | 31 |
| Complexity | 1170.8954 |
Chemical Identifiers
| CAS Number | 422283-38-3 |
|---|---|
| SMILES | CCCCN(C)CCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC3=CC=C(C=C3)Cl |
Product Overview
VU0512549-1 (CAS 422283-38-3), with molecular formula C23H27ClN4O2S and molecular weight 458.15 g/mol. IUPAC: N-[2-[butyl(methyl)amino]ethyl]-3-[(4-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide.
Chemical Property Profile of VU0512549-1
Property Insights of VU0512549-1
The XLogP value of 4.22249 indicates that VU0512549-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.13 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0512549-1. Following Lipinski's Rule of Five, VU0512549-1 has 2 hydrogen bond donor(s) and 4 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 VU0512549-1?
The CAS number of VU0512549-1 is 422283-38-3.
What is the molecular formula of VU0512549-1?
The molecular formula of VU0512549-1 is C23H27ClN4O2S.
What is the molecular weight of VU0512549-1?
The molecular weight of VU0512549-1 is 458.15 g/mol.
Where can I buy VU0512549-1?
You can request a quote for VU0512549-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0512549-1?
Yes, KEHONG BIO provides custom synthesis services for VU0512549-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.