F1616-0057
TL;DR: F1616-0057 (CAS 844853-17-4) is a chemical compound with molecular formula C20H22N4 and molecular weight 318.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(butan-2-ylamino)-3-methyl-2-prop-2-enylpyrido[1,2-a]benzimidazole-4-carbonitrile
Also Known As: F1616-0057, 2-allyl-1-(sec-butylamino)-3-methylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile, 1-(butan-2-ylamino)-3-methyl-2-prop-2-enylpyrido[1,2-a]benzimidazole-4-carbonitrile, 13-[(butan-2-yl)amino]-11-methyl-12-(prop-2-en-1-yl)-1,8-diazatricyclo[7.4.0.0^{2,7}]trideca-2(7),3,5,8,10,12-hexaene-10-carbonitrile, 3-allyl-4-(sec-butylamino)-2-methyl-4a,9-diaza-1-fluorenecarbonitrile
| Molecular Formula | C20H22N4 |
|---|---|
| Molecular Weight | 318.18 g/mol |
| LogP | 4.6065 |
| Topological Polar Surface Area | 53.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 318.18445 |
| Heavy Atoms | 24 |
| Complexity | 959.31946 |
Chemical Identifiers
| CAS Number | 844853-17-4 |
|---|---|
| SMILES | CCC(C)NC1=C(C(=C(C2=NC3=CC=CC=C3N12)C#N)C)CC=C |
Product Overview
F1616-0057 (CAS 844853-17-4), with molecular formula C20H22N4 and molecular weight 318.18 g/mol. IUPAC: 1-(butan-2-ylamino)-3-methyl-2-prop-2-enylpyrido[1,2-a]benzimidazole-4-carbonitrile.
Chemical Property Profile of F1616-0057
Property Insights of F1616-0057
The XLogP value of 4.6065 indicates that F1616-0057 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.12 Ų, F1616-0057 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, F1616-0057 has 1 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 F1616-0057?
The CAS number of F1616-0057 is 844853-17-4.
What is the molecular formula of F1616-0057?
The molecular formula of F1616-0057 is C20H22N4.
What is the molecular weight of F1616-0057?
The molecular weight of F1616-0057 is 318.18 g/mol.
Where can I buy F1616-0057?
You can request a quote for F1616-0057 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1616-0057?
Yes, KEHONG BIO provides custom synthesis services for F1616-0057 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.