VU0113338-2
TL;DR: VU0113338-2 (CAS 688053-75-0) is a chemical compound with molecular formula C22H22ClN3O4S and molecular weight 459.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-chlorophenyl)methyl]-6-(8-oxo-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)hexanamide
Also Known As: VU0113338-2, F3168-1961, N-[(4-chlorophenyl)methyl]-6-(8-oxo-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)hexanamide, N-[(4-chlorophenyl)methyl]-6-{8-oxo-6-sulfanylidene-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl}hexanamide, N-(4-chlorobenzyl)-6-(8-oxo-6-thioxo-5,8-dihydro[1,3]dioxolo[4,5-g]quinazolin-7(6H)-yl)hexanamide
| Molecular Formula | C22H22ClN3O4S |
|---|---|
| Molecular Weight | 459.10 g/mol |
| LogP | 4.31799 |
| Topological Polar Surface Area | 85.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 459.10196 |
| Heavy Atoms | 31 |
| Complexity | 1220.3837 |
Chemical Identifiers
| CAS Number | 688053-75-0 |
|---|---|
| SMILES | C1OC2=C(O1)C=C3C(=C2)C(=O)N(C(=S)N3)CCCCCC(=O)NCC4=CC=C(C=C4)Cl |
Product Overview
VU0113338-2 (CAS 688053-75-0), with molecular formula C22H22ClN3O4S and molecular weight 459.10 g/mol. IUPAC: N-[(4-chlorophenyl)methyl]-6-(8-oxo-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)hexanamide.
Chemical Property Profile of VU0113338-2
Property Insights of VU0113338-2
The XLogP value of 4.31799 indicates that VU0113338-2 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 VU0113338-2. Following Lipinski's Rule of Five, VU0113338-2 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 VU0113338-2?
The CAS number of VU0113338-2 is 688053-75-0.
What is the molecular formula of VU0113338-2?
The molecular formula of VU0113338-2 is C22H22ClN3O4S.
What is the molecular weight of VU0113338-2?
The molecular weight of VU0113338-2 is 459.10 g/mol.
Where can I buy VU0113338-2?
You can request a quote for VU0113338-2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0113338-2?
Yes, KEHONG BIO provides custom synthesis services for VU0113338-2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.