VU0610998-1
TL;DR: VU0610998-1 (CAS 845661-84-9) is a chemical compound with molecular formula C16H9FN6S and molecular weight 336.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-(4-fluorophenyl)-5-thiophen-2-yl-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
Also Known As: VU0610998-1, 7-(4-fluorophenyl)-3-(thiophen-2-yl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine, F3329-0100, 10-(4-fluorophenyl)-5-(thiophen-2-yl)-3,4,6,8,10,11-hexaazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2,4,7,11-pentaene, 10-(4-fluorophenyl)-5-thiophen-2-yl-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
| Molecular Formula | C16H9FN6S |
|---|---|
| Molecular Weight | 336.06 g/mol |
| LogP | 3.3308 |
| Topological Polar Surface Area | 60.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 336.05936 |
| Heavy Atoms | 24 |
| Complexity | 1156.9309 |
Chemical Identifiers
| CAS Number | 845661-84-9 |
|---|---|
| SMILES | C1=CSC(=C1)C2=NN=C3N2C=NC4=C3C=NN4C5=CC=C(C=C5)F |
Product Overview
VU0610998-1 (CAS 845661-84-9), with molecular formula C16H9FN6S and molecular weight 336.06 g/mol. IUPAC: 10-(4-fluorophenyl)-5-thiophen-2-yl-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene.
Chemical Property Profile of VU0610998-1
Property Insights of VU0610998-1
The XLogP value of 3.3308 indicates that VU0610998-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.9 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0610998-1. Following Lipinski's Rule of Five, VU0610998-1 has 0 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 VU0610998-1?
The CAS number of VU0610998-1 is 845661-84-9.
What is the molecular formula of VU0610998-1?
The molecular formula of VU0610998-1 is C16H9FN6S.
What is the molecular weight of VU0610998-1?
The molecular weight of VU0610998-1 is 336.06 g/mol.
Where can I buy VU0610998-1?
You can request a quote for VU0610998-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0610998-1?
Yes, KEHONG BIO provides custom synthesis services for VU0610998-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.