VU0512627-1
TL;DR: VU0512627-1 (CAS 688055-72-3) is a chemical compound with molecular formula C24H18ClN3O4S and molecular weight 479.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3-chlorophenyl)methyl]-4-[(8-oxo-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)methyl]benzamide
Also Known As: VU0512627-1, F3168-2069, N-[(3-chlorophenyl)methyl]-4-({8-oxo-6-sulfanylidene-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl}methyl)benzamide, N-(3-chlorobenzyl)-4-((8-oxo-6-thioxo-5,6-dihydro-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl)methyl)benzamide, N-[(3-chlorophenyl)methyl]-4-[(8-oxo-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)methyl]benzamide
| Molecular Formula | C24H18ClN3O4S |
|---|---|
| Molecular Weight | 479.07 g/mol |
| LogP | 4.41949 |
| Topological Polar Surface Area | 85.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 479.07065 |
| Heavy Atoms | 33 |
| Complexity | 1494.8494 |
Chemical Identifiers
| CAS Number | 688055-72-3 |
|---|---|
| SMILES | C1OC2=C(O1)C=C3C(=C2)C(=O)N(C(=S)N3)CC4=CC=C(C=C4)C(=O)NCC5=CC(=CC=C5)Cl |
Product Overview
VU0512627-1 (CAS 688055-72-3), with molecular formula C24H18ClN3O4S and molecular weight 479.07 g/mol. IUPAC: N-[(3-chlorophenyl)methyl]-4-[(8-oxo-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)methyl]benzamide.
Chemical Property Profile of VU0512627-1
Property Insights of VU0512627-1
The XLogP value of 4.41949 indicates that VU0512627-1 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 VU0512627-1. Following Lipinski's Rule of Five, VU0512627-1 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 VU0512627-1?
The CAS number of VU0512627-1 is 688055-72-3.
What is the molecular formula of VU0512627-1?
The molecular formula of VU0512627-1 is C24H18ClN3O4S.
What is the molecular weight of VU0512627-1?
The molecular weight of VU0512627-1 is 479.07 g/mol.
Where can I buy VU0512627-1?
You can request a quote for VU0512627-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0512627-1?
Yes, KEHONG BIO provides custom synthesis services for VU0512627-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.