VU0185505-3
TL;DR: VU0185505-3 (CAS 896804-77-6) is a chemical compound with molecular formula C23H26N6 and molecular weight 386.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,11,13-trimethyl-6-[4-(2-methylphenyl)piperazin-1-yl]-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene
Also Known As: VU0185505-3, 2,8,10-trimethyl-4-(4-(o-tolyl)piperazin-1-yl)pyrido[2',3':3,4]pyrazolo[1,5-a]pyrimidine, 4,11,13-trimethyl-6-[4-(2-methylphenyl)piperazin-1-yl]-3,7,8,10-tetraazatricyclo[7.4.0.0^{2,7}]trideca-1,3,5,8,10,12-hexaene, 4,11,13-trimethyl-6-[4-(2-methylphenyl)piperazin-1-yl]-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene, 2,8,10-trimethyl-4-[4-(2-methylphenyl)piperazin-1-yl]pyrido[2',3':3,4]pyrazolo[1,5-a]pyrimidine
| Molecular Formula | C23H26N6 |
|---|---|
| Molecular Weight | 386.22 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 49.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 386.2219 |
| Heavy Atoms | 29 |
| Complexity | 564.0 |
Chemical Identifiers
| CAS Number | 896804-77-6 |
|---|---|
| SMILES | CC1=CC=CC=C1N2CCN(CC2)C3=CC(=NC4=C5C(=CC(=NC5=NN34)C)C)C |
| InChIKey | KHXMHVDDVSDBOC-UHFFFAOYSA-N |
Product Overview
VU0185505-3 (CAS 896804-77-6), with molecular formula C23H26N6 and molecular weight 386.22 g/mol. IUPAC: 4,11,13-trimethyl-6-[4-(2-methylphenyl)piperazin-1-yl]-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene.
Chemical Property Profile of VU0185505-3
Property Insights of VU0185505-3
The XLogP value of 4.5 indicates that VU0185505-3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.6 Ų, VU0185505-3 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, VU0185505-3 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 VU0185505-3?
The CAS number of VU0185505-3 is 896804-77-6.
What is the molecular formula of VU0185505-3?
The molecular formula of VU0185505-3 is C23H26N6.
What is the molecular weight of VU0185505-3?
The molecular weight of VU0185505-3 is 386.22 g/mol.
Where can I buy VU0185505-3?
You can request a quote for VU0185505-3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0185505-3?
Yes, KEHONG BIO provides custom synthesis services for VU0185505-3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.