VU0611013-1
TL;DR: VU0611013-1 (CAS 899384-44-2) is a chemical compound with molecular formula C20H15ClN6O2 and molecular weight 406.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[10-(3-chloro-4-methylphenyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl]-5-methoxyphenol
Also Known As: VU0611013-1, 2-(7-(3-chloro-4-methylphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-5-methoxyphenol, F3329-0195, 2-[10-(3-chloro-4-methylphenyl)-3,5,6,8,10,11-hexaazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2,4,7,11-pentaen-4-yl]-5-methoxyphenol, 2-[10-(3-chloro-4-methylphenyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl]-5-methoxyphenol
| Molecular Formula | C20H15ClN6O2 |
|---|---|
| Molecular Weight | 406.09 g/mol |
| LogP | 3.80622 |
| Topological Polar Surface Area | 90.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 406.0945 |
| Heavy Atoms | 29 |
| Complexity | 1391.0387 |
Chemical Identifiers
| CAS Number | 899384-44-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2C3=C(C=N2)C4=NC(=NN4C=N3)C5=C(C=C(C=C5)OC)O)Cl |
Product Overview
VU0611013-1 (CAS 899384-44-2), with molecular formula C20H15ClN6O2 and molecular weight 406.09 g/mol. IUPAC: 2-[10-(3-chloro-4-methylphenyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl]-5-methoxyphenol.
Chemical Property Profile of VU0611013-1
Property Insights of VU0611013-1
The XLogP value of 3.80622 indicates that VU0611013-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.36 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0611013-1. Following Lipinski's Rule of Five, VU0611013-1 has 1 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 VU0611013-1?
The CAS number of VU0611013-1 is 899384-44-2.
What is the molecular formula of VU0611013-1?
The molecular formula of VU0611013-1 is C20H15ClN6O2.
What is the molecular weight of VU0611013-1?
The molecular weight of VU0611013-1 is 406.09 g/mol.
Where can I buy VU0611013-1?
You can request a quote for VU0611013-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0611013-1?
Yes, KEHONG BIO provides custom synthesis services for VU0611013-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.