VU0512491-1
TL;DR: VU0512491-1 (CAS 422273-40-3) is a chemical compound with molecular formula C22H17ClN4O2S and molecular weight 436.08 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-(pyridin-2-ylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide
Also Known As: VU0512491-1, AB00683383-01, F3168-1616, 3-[(2-chlorophenyl)methyl]-4-oxo-N-[(pyridin-2-yl)methyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide, 3-[(2-chlorophenyl)methyl]-4-oxo-N-(pyridin-2-ylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide
| Molecular Formula | C22H17ClN4O2S |
|---|---|
| Molecular Weight | 436.08 g/mol |
| LogP | 4.08579 |
| Topological Polar Surface Area | 79.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 436.07608 |
| Heavy Atoms | 30 |
| Complexity | 1348.8503 |
Chemical Identifiers
| CAS Number | 422273-40-3 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CN2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC=CC=N4)NC2=S)Cl |
Product Overview
VU0512491-1 (CAS 422273-40-3), with molecular formula C22H17ClN4O2S and molecular weight 436.08 g/mol. IUPAC: 3-[(2-chlorophenyl)methyl]-4-oxo-N-(pyridin-2-ylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide.
Chemical Property Profile of VU0512491-1
Property Insights of VU0512491-1
The XLogP value of 4.08579 indicates that VU0512491-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.78 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0512491-1. Following Lipinski's Rule of Five, VU0512491-1 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 VU0512491-1?
The CAS number of VU0512491-1 is 422273-40-3.
What is the molecular formula of VU0512491-1?
The molecular formula of VU0512491-1 is C22H17ClN4O2S.
What is the molecular weight of VU0512491-1?
The molecular weight of VU0512491-1 is 436.08 g/mol.
Where can I buy VU0512491-1?
You can request a quote for VU0512491-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0512491-1?
Yes, KEHONG BIO provides custom synthesis services for VU0512491-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.