VU0138806-2
TL;DR: VU0138806-2 (CAS 309940-35-0) 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.
N-[(2-chlorophenyl)methyl]-4-oxo-3-pentyl-2-sulfanylidene-1H-quinazoline-7-carboxamide
Also Known As: VU0138806-2, F3168-0075, N-[(2-chlorophenyl)methyl]-4-oxo-3-pentyl-2-sulfanylidene-1H-quinazoline-7-carboxamide, N-[(2-chlorophenyl)methyl]-4-oxo-3-pentyl-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide, N-(2-chlorobenzyl)-4-oxo-3-pentyl-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide
| Molecular Formula | C21H22ClN3O2S |
|---|---|
| Molecular Weight | 415.11 g/mol |
| LogP | 4.83269 |
| 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 | 309940-35-0 |
|---|---|
| SMILES | CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=CC=CC=C3Cl)NC1=S |
Product Overview
VU0138806-2 (CAS 309940-35-0), with molecular formula C21H22ClN3O2S and molecular weight 415.11 g/mol. IUPAC: N-[(2-chlorophenyl)methyl]-4-oxo-3-pentyl-2-sulfanylidene-1H-quinazoline-7-carboxamide.
Chemical Property Profile of VU0138806-2
Property Insights of VU0138806-2
The XLogP value of 4.83269 indicates that VU0138806-2 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 VU0138806-2. Following Lipinski's Rule of Five, VU0138806-2 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 VU0138806-2?
The CAS number of VU0138806-2 is 309940-35-0.
What is the molecular formula of VU0138806-2?
The molecular formula of VU0138806-2 is C21H22ClN3O2S.
What is the molecular weight of VU0138806-2?
The molecular weight of VU0138806-2 is 415.11 g/mol.
Where can I buy VU0138806-2?
You can request a quote for VU0138806-2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0138806-2?
Yes, KEHONG BIO provides custom synthesis services for VU0138806-2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.