VU0605616-1
TL;DR: VU0605616-1 (CAS 877805-22-6) is a chemical compound with molecular formula C22H22N4O4S and molecular weight 438.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3,4-dimethylphenyl)sulfonyl-7-(2-hydroxyethyl)-6-imino-11-methyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one
Also Known As: VU0605616-1, AO-022/43360864, F3226-1832, 3-((3,4-dimethylphenyl)sulfonyl)-1-(2-hydroxyethyl)-2-imino-10-methyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one, 5-(3,4-dimethylbenzenesulfonyl)-7-(2-hydroxyethyl)-6-imino-11-methyl-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaen-2-one
| Molecular Formula | C22H22N4O4S |
|---|---|
| Molecular Weight | 438.14 g/mol |
| LogP | 1.87903 |
| Topological Polar Surface Area | 117.52 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 438.13617 |
| Heavy Atoms | 31 |
| Complexity | 1583.7218 |
Chemical Identifiers
| CAS Number | 877805-22-6 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)S(=O)(=O)C2=CC3=C(N=C4C(=CC=CN4C3=O)C)N(C2=N)CCO)C |
Product Overview
VU0605616-1 (CAS 877805-22-6), with molecular formula C22H22N4O4S and molecular weight 438.14 g/mol. IUPAC: 5-(3,4-dimethylphenyl)sulfonyl-7-(2-hydroxyethyl)-6-imino-11-methyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one.
Chemical Property Profile of VU0605616-1
Property Insights of VU0605616-1
The XLogP value of 1.87903 suggests moderate lipophilicity, balancing water solubility and membrane permeability for VU0605616-1. The TPSA of 117.52 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0605616-1. Following Lipinski's Rule of Five, VU0605616-1 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 VU0605616-1?
The CAS number of VU0605616-1 is 877805-22-6.
What is the molecular formula of VU0605616-1?
The molecular formula of VU0605616-1 is C22H22N4O4S.
What is the molecular weight of VU0605616-1?
The molecular weight of VU0605616-1 is 438.14 g/mol.
Where can I buy VU0605616-1?
You can request a quote for VU0605616-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0605616-1?
Yes, KEHONG BIO provides custom synthesis services for VU0605616-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.