VU0512553-1
TL;DR: VU0512553-1 (CAS 422283-60-1) is a chemical compound with molecular formula C24H25N3O4S and molecular weight 451.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[[4-(azepane-1-carbonyl)phenyl]methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylate
Also Known As: VU0512553-1, F3168-1766, Methyl 3-[[4-(azepane-1-carbonyl)phenyl]methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylate, methyl 3-{[4-(azepane-1-carbonyl)phenyl]methyl}-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate, methyl 3-(4-(azepane-1-carbonyl)benzyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate
| Molecular Formula | C24H25N3O4S |
|---|---|
| Molecular Weight | 451.16 g/mol |
| LogP | 3.91019 |
| Topological Polar Surface Area | 84.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 451.1566 |
| Heavy Atoms | 32 |
| Complexity | 1269.1293 |
Chemical Identifiers
| CAS Number | 422283-60-1 |
|---|---|
| SMILES | COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC3=CC=C(C=C3)C(=O)N4CCCCCC4 |
Product Overview
VU0512553-1 (CAS 422283-60-1), with molecular formula C24H25N3O4S and molecular weight 451.16 g/mol. IUPAC: methyl 3-[[4-(azepane-1-carbonyl)phenyl]methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylate.
Chemical Property Profile of VU0512553-1
Property Insights of VU0512553-1
The XLogP value of 3.91019 indicates that VU0512553-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.4 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0512553-1. Following Lipinski's Rule of Five, VU0512553-1 has 1 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 VU0512553-1?
The CAS number of VU0512553-1 is 422283-60-1.
What is the molecular formula of VU0512553-1?
The molecular formula of VU0512553-1 is C24H25N3O4S.
What is the molecular weight of VU0512553-1?
The molecular weight of VU0512553-1 is 451.16 g/mol.
Where can I buy VU0512553-1?
You can request a quote for VU0512553-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0512553-1?
Yes, KEHONG BIO provides custom synthesis services for VU0512553-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.