VU0512628-1
TL;DR: VU0512628-1 (CAS 688055-74-5) is a chemical compound with molecular formula C25H21N3O5S and molecular weight 475.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3-methoxyphenyl)methyl]-4-[(8-oxo-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)methyl]benzamide
Also Known As: VU0512628-1, F3168-2071, N-[(3-methoxyphenyl)methyl]-4-({8-oxo-6-sulfanylidene-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl}methyl)benzamide, N-(3-methoxybenzyl)-4-((8-oxo-6-thioxo-5,6-dihydro-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl)methyl)benzamide, N-[(3-methoxyphenyl)methyl]-4-[(8-oxo-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)methyl]benzamide
| Molecular Formula | C25H21N3O5S |
|---|---|
| Molecular Weight | 475.12 g/mol |
| LogP | 3.77469 |
| Topological Polar Surface Area | 94.58 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 475.12018 |
| Heavy Atoms | 34 |
| Complexity | 1508.258 |
Chemical Identifiers
| CAS Number | 688055-74-5 |
|---|---|
| SMILES | COC1=CC=CC(=C1)CNC(=O)C2=CC=C(C=C2)CN3C(=O)C4=CC5=C(C=C4NC3=S)OCO5 |
Product Overview
VU0512628-1 (CAS 688055-74-5), with molecular formula C25H21N3O5S and molecular weight 475.12 g/mol. IUPAC: N-[(3-methoxyphenyl)methyl]-4-[(8-oxo-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)methyl]benzamide.
Chemical Property Profile of VU0512628-1
Property Insights of VU0512628-1
The XLogP value of 3.77469 indicates that VU0512628-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.58 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0512628-1. Following Lipinski's Rule of Five, VU0512628-1 has 2 hydrogen bond donor(s) and 6 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 VU0512628-1?
The CAS number of VU0512628-1 is 688055-74-5.
What is the molecular formula of VU0512628-1?
The molecular formula of VU0512628-1 is C25H21N3O5S.
What is the molecular weight of VU0512628-1?
The molecular weight of VU0512628-1 is 475.12 g/mol.
Where can I buy VU0512628-1?
You can request a quote for VU0512628-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0512628-1?
Yes, KEHONG BIO provides custom synthesis services for VU0512628-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.