F1616-0081
TL;DR: F1616-0081 (CAS 845665-75-0) is a chemical compound with molecular formula C28H29N5O2 and molecular weight 467.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[1-(4-benzylpiperazin-1-yl)-4-cyano-3-methylpyrido[1,2-a]benzimidazol-2-yl]propanoate
Also Known As: F1616-0081, methyl 3-[1-(4-benzylpiperazin-1-yl)-4-cyano-3-methylpyrido[1,2-a]benzimidazol-2-yl]propanoate, methyl 3-[13-(4-benzylpiperazin-1-yl)-10-cyano-11-methyl-1,8-diazatricyclo[7.4.0.0^{2,7}]trideca-2(7),3,5,8,10,12-hexaen-12-yl]propanoate, methyl 3-(1-(4-benzylpiperazin-1-yl)-4-cyano-3-methylbenzo[4,5]imidazo[1,2-a]pyridin-2-yl)propanoate, methyl 3-{4-cyano-3-methyl-1-[4-benzylpiperazinyl]-10-hydropyridino[1,2-a]benz imidazol-2-yl}propanoate
| Molecular Formula | C28H29N5O2 |
|---|---|
| Molecular Weight | 467.23 g/mol |
| LogP | 4.0954 |
| Topological Polar Surface Area | 73.87 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 467.23212 |
| Heavy Atoms | 35 |
| Complexity | 1412.5785 |
Chemical Identifiers
| CAS Number | 845665-75-0 |
|---|---|
| SMILES | CC1=C(C2=NC3=CC=CC=C3N2C(=C1CCC(=O)OC)N4CCN(CC4)CC5=CC=CC=C5)C#N |
Product Overview
F1616-0081 (CAS 845665-75-0), with molecular formula C28H29N5O2 and molecular weight 467.23 g/mol. IUPAC: methyl 3-[1-(4-benzylpiperazin-1-yl)-4-cyano-3-methylpyrido[1,2-a]benzimidazol-2-yl]propanoate.
Chemical Property Profile of F1616-0081
Property Insights of F1616-0081
The XLogP value of 4.0954 indicates that F1616-0081 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.87 Ų falls within the moderate polarity range, balancing permeability and solubility for F1616-0081. Following Lipinski's Rule of Five, F1616-0081 has 0 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 F1616-0081?
The CAS number of F1616-0081 is 845665-75-0.
What is the molecular formula of F1616-0081?
The molecular formula of F1616-0081 is C28H29N5O2.
What is the molecular weight of F1616-0081?
The molecular weight of F1616-0081 is 467.23 g/mol.
Where can I buy F1616-0081?
You can request a quote for F1616-0081 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1616-0081?
Yes, KEHONG BIO provides custom synthesis services for F1616-0081 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.