VU0611581-1
TL;DR: VU0611581-1 (CAS 899404-58-1) is a chemical compound with molecular formula C25H26N4O2 and molecular weight 414.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(azepane-1-carbonyl)-6-benzyl-10-methyl-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one
Also Known As: VU0611581-1, F3345-0348, 2-(azepane-1-carbonyl)-1-benzyl-9-methylpyrido[1,2-a]pyrrolo[2,3-d]pyrimidin-4(1H)-one, 5-(azepane-1-carbonyl)-6-benzyl-10-methyl-1,6,8-triazatricyclo[7.4.0.0^{3,7}]trideca-3(7),4,8,10,12-pentaen-2-one, 5-(azepane-1-carbonyl)-6-benzyl-10-methyl-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one
| Molecular Formula | C25H26N4O2 |
|---|---|
| Molecular Weight | 414.21 g/mol |
| LogP | 4.02212 |
| Topological Polar Surface Area | 59.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 414.20557 |
| Heavy Atoms | 31 |
| Complexity | 1312.3608 |
Chemical Identifiers
| CAS Number | 899404-58-1 |
|---|---|
| SMILES | CC1=CC=CN2C1=NC3=C(C2=O)C=C(N3CC4=CC=CC=C4)C(=O)N5CCCCCC5 |
Product Overview
VU0611581-1 (CAS 899404-58-1), with molecular formula C25H26N4O2 and molecular weight 414.21 g/mol. IUPAC: 5-(azepane-1-carbonyl)-6-benzyl-10-methyl-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one.
Chemical Property Profile of VU0611581-1
Property Insights of VU0611581-1
The XLogP value of 4.02212 indicates that VU0611581-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.61 Ų, VU0611581-1 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, VU0611581-1 has 0 hydrogen bond donor(s) and 3 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 VU0611581-1?
The CAS number of VU0611581-1 is 899404-58-1.
What is the molecular formula of VU0611581-1?
The molecular formula of VU0611581-1 is C25H26N4O2.
What is the molecular weight of VU0611581-1?
The molecular weight of VU0611581-1 is 414.21 g/mol.
Where can I buy VU0611581-1?
You can request a quote for VU0611581-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0611581-1?
Yes, KEHONG BIO provides custom synthesis services for VU0611581-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.