AB00767596-01
TL;DR: AB00767596-01 (CAS 442572-63-6) is a chemical compound with molecular formula C25H33N5O and molecular weight 419.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-1-(3-morpholin-4-ylpropylamino)-2-pentylpyrido[1,2-a]benzimidazole-4-carbonitrile
Also Known As: AB00767596-01, 3-methyl-1-((3-morpholinopropyl)amino)-2-pentylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile, F1126-0379, 3-methyl-1-(3-morpholin-4-ylpropylamino)-2-pentylpyrido[1,2-a]benzimidazole-4-carbonitrile, 11-methyl-13-{[3-(morpholin-4-yl)propyl]amino}-12-pentyl-1,8-diazatricyclo[7.4.0.0^{2,7}]trideca-2(7),3,5,8,10,12-hexaene-10-carbonitrile
| Molecular Formula | C25H33N5O |
|---|---|
| Molecular Weight | 419.27 g/mol |
| LogP | 4.5345 |
| Topological Polar Surface Area | 65.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 419.26852 |
| Heavy Atoms | 31 |
| Complexity | 1075.1263 |
Chemical Identifiers
| CAS Number | 442572-63-6 |
|---|---|
| SMILES | CCCCCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)NCCCN4CCOCC4 |
Product Overview
AB00767596-01 (CAS 442572-63-6), with molecular formula C25H33N5O and molecular weight 419.27 g/mol. IUPAC: 3-methyl-1-(3-morpholin-4-ylpropylamino)-2-pentylpyrido[1,2-a]benzimidazole-4-carbonitrile.
Chemical Property Profile of AB00767596-01
Property Insights of AB00767596-01
The XLogP value of 4.5345 indicates that AB00767596-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.59 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00767596-01. Following Lipinski's Rule of Five, AB00767596-01 has 1 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 AB00767596-01?
The CAS number of AB00767596-01 is 442572-63-6.
What is the molecular formula of AB00767596-01?
The molecular formula of AB00767596-01 is C25H33N5O.
What is the molecular weight of AB00767596-01?
The molecular weight of AB00767596-01 is 419.27 g/mol.
Where can I buy AB00767596-01?
You can request a quote for AB00767596-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00767596-01?
Yes, KEHONG BIO provides custom synthesis services for AB00767596-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.