VU0512537-1
TL;DR: VU0512537-1 (CAS 422277-99-4) is a chemical compound with molecular formula C20H20ClN3O3S and molecular weight 417.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(7-chloro-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(3-ethoxypropyl)benzamide
Also Known As: VU0512537-1, F3168-1723, 3-(7-chloro-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(3-ethoxypropyl)benzamide, 3-(7-chloro-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-3-yl)-N-(3-ethoxypropyl)benzamide, 3-(7-chloro-4-oxo-2-thioxo-1,2-dihydroquinazolin-3(4H)-yl)-N-(3-ethoxypropyl)benzamide
| Molecular Formula | C20H20ClN3O3S |
|---|---|
| Molecular Weight | 417.09 g/mol |
| LogP | 3.85809 |
| Topological Polar Surface Area | 76.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 417.0914 |
| Heavy Atoms | 28 |
| Complexity | 1123.6144 |
Chemical Identifiers
| CAS Number | 422277-99-4 |
|---|---|
| SMILES | CCOCCCNC(=O)C1=CC(=CC=C1)N2C(=O)C3=C(C=C(C=C3)Cl)NC2=S |
Product Overview
VU0512537-1 (CAS 422277-99-4), with molecular formula C20H20ClN3O3S and molecular weight 417.09 g/mol. IUPAC: 3-(7-chloro-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(3-ethoxypropyl)benzamide.
Chemical Property Profile of VU0512537-1
Property Insights of VU0512537-1
The XLogP value of 3.85809 indicates that VU0512537-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.12 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0512537-1. Following Lipinski's Rule of Five, VU0512537-1 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 VU0512537-1?
The CAS number of VU0512537-1 is 422277-99-4.
What is the molecular formula of VU0512537-1?
The molecular formula of VU0512537-1 is C20H20ClN3O3S.
What is the molecular weight of VU0512537-1?
The molecular weight of VU0512537-1 is 417.09 g/mol.
Where can I buy VU0512537-1?
You can request a quote for VU0512537-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0512537-1?
Yes, KEHONG BIO provides custom synthesis services for VU0512537-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.