VU0512590-1
TL;DR: VU0512590-1 (CAS 688053-48-7) is a chemical compound with molecular formula C25H29N3O4S and molecular weight 467.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(8-oxo-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)-N-(4-phenylbutan-2-yl)hexanamide
Also Known As: VU0512590-1, F3168-1946, 6-{8-oxo-6-sulfanylidene-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl}-N-(4-phenylbutan-2-yl)hexanamide, 6-(8-oxo-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)-N-(4-phenylbutan-2-yl)hexanamide, 6-(8-oxo-6-thioxo-5,6-dihydro-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl)-N-(4-phenylbutan-2-yl)hexanamide
| Molecular Formula | C25H29N3O4S |
|---|---|
| Molecular Weight | 467.19 g/mol |
| LogP | 4.48569 |
| Topological Polar Surface Area | 85.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 467.18787 |
| Heavy Atoms | 33 |
| Complexity | 1236.116 |
Chemical Identifiers
| CAS Number | 688053-48-7 |
|---|---|
| SMILES | CC(CCC1=CC=CC=C1)NC(=O)CCCCCN2C(=O)C3=CC4=C(C=C3NC2=S)OCO4 |
Product Overview
VU0512590-1 (CAS 688053-48-7), with molecular formula C25H29N3O4S and molecular weight 467.19 g/mol. IUPAC: 6-(8-oxo-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)-N-(4-phenylbutan-2-yl)hexanamide.
Chemical Property Profile of VU0512590-1
Property Insights of VU0512590-1
The XLogP value of 4.48569 indicates that VU0512590-1 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 VU0512590-1. Following Lipinski's Rule of Five, VU0512590-1 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 VU0512590-1?
The CAS number of VU0512590-1 is 688053-48-7.
What is the molecular formula of VU0512590-1?
The molecular formula of VU0512590-1 is C25H29N3O4S.
What is the molecular weight of VU0512590-1?
The molecular weight of VU0512590-1 is 467.19 g/mol.
Where can I buy VU0512590-1?
You can request a quote for VU0512590-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0512590-1?
Yes, KEHONG BIO provides custom synthesis services for VU0512590-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.