VU0079505-2
TL;DR: VU0079505-2 (CAS 422273-50-5) is a chemical compound with molecular formula C21H22ClN3O2S and molecular weight 415.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2-chlorophenyl)methyl]-4-oxo-N-pentyl-2-sulfanylidene-1H-quinazoline-7-carboxamide
Also Known As: VU0079505-2, F3168-1624, 3-[(2-chlorophenyl)methyl]-4-oxo-N-pentyl-2-sulfanylidene-1H-quinazoline-7-carboxamide, 3-(2-chlorobenzyl)-4-oxo-N-pentyl-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide, 3-[(2-chlorophenyl)methyl]-4-oxo-N-pentyl-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
| Molecular Formula | C21H22ClN3O2S |
|---|---|
| Molecular Weight | 415.11 g/mol |
| LogP | 4.68079 |
| Topological Polar Surface Area | 66.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 415.11212 |
| Heavy Atoms | 28 |
| Complexity | 1120.5692 |
Chemical Identifiers
| CAS Number | 422273-50-5 |
|---|---|
| SMILES | CCCCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC3=CC=CC=C3Cl |
Product Overview
VU0079505-2 (CAS 422273-50-5), with molecular formula C21H22ClN3O2S and molecular weight 415.11 g/mol. IUPAC: 3-[(2-chlorophenyl)methyl]-4-oxo-N-pentyl-2-sulfanylidene-1H-quinazoline-7-carboxamide.
Chemical Property Profile of VU0079505-2
Property Insights of VU0079505-2
The XLogP value of 4.68079 indicates that VU0079505-2 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 VU0079505-2. Following Lipinski's Rule of Five, VU0079505-2 has 2 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 VU0079505-2?
The CAS number of VU0079505-2 is 422273-50-5.
What is the molecular formula of VU0079505-2?
The molecular formula of VU0079505-2 is C21H22ClN3O2S.
What is the molecular weight of VU0079505-2?
The molecular weight of VU0079505-2 is 415.11 g/mol.
Where can I buy VU0079505-2?
You can request a quote for VU0079505-2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0079505-2?
Yes, KEHONG BIO provides custom synthesis services for VU0079505-2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.