BAS 09896456
TL;DR: BAS 09896456 (CAS 861111-39-9) is a chemical compound with molecular formula C21H27N5 and molecular weight 349.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-(dimethylamino)propylamino]-3-methyl-2-propylpyrido[1,2-a]benzimidazole-4-carbonitrile
Also Known As: BAS 09896456, F1727-0136, 1-((3-(dimethylamino)propyl)amino)-3-methyl-2-propylbenzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile, 13-{[3-(dimethylamino)propyl]amino}-11-methyl-12-propyl-1,8-diazatricyclo[7.4.0.0^{2,7}]trideca-2(7),3,5,8,10,12-hexaene-10-carbonitrile, 1-[3-(dimethylamino)propylamino]-3-methyl-2-propylpyrido[1,2-a]benzimidazole-4-carbonitrile
| Molecular Formula | C21H27N5 |
|---|---|
| Molecular Weight | 349.23 g/mol |
| LogP | 3.9837 |
| Topological Polar Surface Area | 56.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 349.22665 |
| Heavy Atoms | 26 |
| Complexity | 962.08203 |
Chemical Identifiers
| CAS Number | 861111-39-9 |
|---|---|
| SMILES | CCCC1=C(N2C3=CC=CC=C3N=C2C(=C1C)C#N)NCCCN(C)C |
Product Overview
BAS 09896456 (CAS 861111-39-9), with molecular formula C21H27N5 and molecular weight 349.23 g/mol. IUPAC: 1-[3-(dimethylamino)propylamino]-3-methyl-2-propylpyrido[1,2-a]benzimidazole-4-carbonitrile.
Chemical Property Profile of BAS 09896456
Property Insights of BAS 09896456
The XLogP value of 3.9837 indicates that BAS 09896456 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.36 Ų, BAS 09896456 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 09896456 has 1 hydrogen bond donor(s) and 4 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 BAS 09896456?
The CAS number of BAS 09896456 is 861111-39-9.
What is the molecular formula of BAS 09896456?
The molecular formula of BAS 09896456 is C21H27N5.
What is the molecular weight of BAS 09896456?
The molecular weight of BAS 09896456 is 349.23 g/mol.
Where can I buy BAS 09896456?
You can request a quote for BAS 09896456 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 09896456?
Yes, KEHONG BIO provides custom synthesis services for BAS 09896456 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.