IFLab1_005683
TL;DR: IFLab1_005683 (CAS 611197-75-2) is a chemical compound with molecular formula C21H25N5O and molecular weight 363.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-morpholin-4-ylethylamino)-3-propan-2-ylpyrido[1,2-a]benzimidazole-4-carbonitrile
Also Known As: IFLab1_005683, BAS 05347913, IDI1_011086, 1-{[2-(morpholin-4-yl)ethyl]amino}-3-(propan-2-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile, 3-isopropyl-1-((2-morpholinoethyl)amino)benzo[4,5]imidazo[1,2-a]pyridine-4-carbonitrile
| Molecular Formula | C21H25N5O |
|---|---|
| Molecular Weight | 363.21 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 65.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 363.2059 |
| Heavy Atoms | 27 |
| Complexity | 540.0 |
Chemical Identifiers
| CAS Number | 611197-75-2 |
|---|---|
| SMILES | CC(C)C1=C(C2=NC3=CC=CC=C3N2C(=C1)NCCN4CCOCC4)C#N |
| InChIKey | IYLBVVFAHQUHRL-UHFFFAOYSA-N |
Product Overview
IFLab1_005683 (CAS 611197-75-2), with molecular formula C21H25N5O and molecular weight 363.21 g/mol. IUPAC: 1-(2-morpholin-4-ylethylamino)-3-propan-2-ylpyrido[1,2-a]benzimidazole-4-carbonitrile.
Chemical Property Profile of IFLab1_005683
Property Insights of IFLab1_005683
The XLogP value of 4.0 indicates that IFLab1_005683 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.6 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_005683. Following Lipinski's Rule of Five, IFLab1_005683 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 IFLab1_005683?
The CAS number of IFLab1_005683 is 611197-75-2.
What is the molecular formula of IFLab1_005683?
The molecular formula of IFLab1_005683 is C21H25N5O.
What is the molecular weight of IFLab1_005683?
The molecular weight of IFLab1_005683 is 363.21 g/mol.
Where can I buy IFLab1_005683?
You can request a quote for IFLab1_005683 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_005683?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_005683 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.