VU0512621-1
TL;DR: VU0512621-1 (CAS 688055-16-5) is a chemical compound with molecular formula C20H18ClN3O4S and molecular weight 431.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(2-chlorophenyl)ethyl]-3-(8-oxo-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)propanamide
Also Known As: VU0512621-1, N-[2-(2-chlorophenyl)ethyl]-3-{8-oxo-6-sulfanylidene-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl}propanamide, N-[2-(2-chlorophenyl)ethyl]-3-(8-oxo-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)propanamide, N-(2-chlorophenethyl)-3-(8-oxo-6-thioxo-5,6-dihydro-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl)propanamide, N-[2-(2-chlorophenyl)ethyl]-3-(8-keto-6-thioxo-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)propionamide
| Molecular Formula | C20H18ClN3O4S |
|---|---|
| Molecular Weight | 431.07 g/mol |
| LogP | 3.19019 |
| Topological Polar Surface Area | 85.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 431.07065 |
| Heavy Atoms | 29 |
| Complexity | 1204.5311 |
Chemical Identifiers
| CAS Number | 688055-16-5 |
|---|---|
| SMILES | C1OC2=C(O1)C=C3C(=C2)C(=O)N(C(=S)N3)CCC(=O)NCCC4=CC=CC=C4Cl |
Product Overview
VU0512621-1 (CAS 688055-16-5), with molecular formula C20H18ClN3O4S and molecular weight 431.07 g/mol. IUPAC: N-[2-(2-chlorophenyl)ethyl]-3-(8-oxo-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)propanamide.
Chemical Property Profile of VU0512621-1
Property Insights of VU0512621-1
The XLogP value of 3.19019 indicates that VU0512621-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.35 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0512621-1. Following Lipinski's Rule of Five, VU0512621-1 has 2 hydrogen bond donor(s) and 5 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 VU0512621-1?
The CAS number of VU0512621-1 is 688055-16-5.
What is the molecular formula of VU0512621-1?
The molecular formula of VU0512621-1 is C20H18ClN3O4S.
What is the molecular weight of VU0512621-1?
The molecular weight of VU0512621-1 is 431.07 g/mol.
Where can I buy VU0512621-1?
You can request a quote for VU0512621-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0512621-1?
Yes, KEHONG BIO provides custom synthesis services for VU0512621-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.