VU0512595-1
TL;DR: VU0512595-1 (CAS 688053-73-8) is a chemical compound with molecular formula C22H23N3O4S and molecular weight 425.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-6-(8-oxo-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)hexanamide
Also Known As: VU0512595-1, F3168-1959, N-benzyl-6-{8-oxo-6-sulfanylidene-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl}hexanamide, N-benzyl-6-(8-oxo-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)hexanamide, N-benzyl-6-(8-oxo-6-thioxo-5,6-dihydro-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl)hexanamide
| Molecular Formula | C22H23N3O4S |
|---|---|
| Molecular Weight | 425.14 g/mol |
| LogP | 3.66459 |
| Topological Polar Surface Area | 85.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 425.14093 |
| Heavy Atoms | 30 |
| Complexity | 1170.7015 |
Chemical Identifiers
| CAS Number | 688053-73-8 |
|---|---|
| SMILES | C1OC2=C(O1)C=C3C(=C2)C(=O)N(C(=S)N3)CCCCCC(=O)NCC4=CC=CC=C4 |
Product Overview
VU0512595-1 (CAS 688053-73-8), with molecular formula C22H23N3O4S and molecular weight 425.14 g/mol. IUPAC: N-benzyl-6-(8-oxo-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)hexanamide.
Chemical Property Profile of VU0512595-1
Property Insights of VU0512595-1
The XLogP value of 3.66459 indicates that VU0512595-1 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 VU0512595-1. Following Lipinski's Rule of Five, VU0512595-1 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 VU0512595-1?
The CAS number of VU0512595-1 is 688053-73-8.
What is the molecular formula of VU0512595-1?
The molecular formula of VU0512595-1 is C22H23N3O4S.
What is the molecular weight of VU0512595-1?
The molecular weight of VU0512595-1 is 425.14 g/mol.
Where can I buy VU0512595-1?
You can request a quote for VU0512595-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0512595-1?
Yes, KEHONG BIO provides custom synthesis services for VU0512595-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.