VU0113036-2
TL;DR: VU0113036-2 (CAS 422273-49-2) is a chemical compound with molecular formula C22H21ClN4O3S and molecular weight 456.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-[(2-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carbonyl]piperidine-4-carboxamide
Also Known As: VU0113036-2, F3168-1623, 1-(3-(2-chlorobenzyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carbonyl)piperidine-4-carboxamide, 1-[3-[(2-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carbonyl]piperidine-4-carboxamide, 1-{3-[(2-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carbonyl}piperidine-4-carboxamide
| Molecular Formula | C22H21ClN4O3S |
|---|---|
| Molecular Weight | 456.10 g/mol |
| LogP | 3.09829 |
| Topological Polar Surface Area | 101.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 456.1023 |
| Heavy Atoms | 31 |
| Complexity | 1291.891 |
Chemical Identifiers
| CAS Number | 422273-49-2 |
|---|---|
| SMILES | C1CN(CCC1C(=O)N)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC=CC=C4Cl |
Product Overview
VU0113036-2 (CAS 422273-49-2), with molecular formula C22H21ClN4O3S and molecular weight 456.10 g/mol. IUPAC: 1-[3-[(2-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carbonyl]piperidine-4-carboxamide.
Chemical Property Profile of VU0113036-2
Property Insights of VU0113036-2
The XLogP value of 3.09829 indicates that VU0113036-2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.19 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0113036-2. Following Lipinski's Rule of Five, VU0113036-2 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 VU0113036-2?
The CAS number of VU0113036-2 is 422273-49-2.
What is the molecular formula of VU0113036-2?
The molecular formula of VU0113036-2 is C22H21ClN4O3S.
What is the molecular weight of VU0113036-2?
The molecular weight of VU0113036-2 is 456.10 g/mol.
Where can I buy VU0113036-2?
You can request a quote for VU0113036-2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0113036-2?
Yes, KEHONG BIO provides custom synthesis services for VU0113036-2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.