CBKinase1_011561
TL;DR: CBKinase1_011561 (CAS 831243-35-7) is a chemical compound with molecular formula C22H27N5O3 and molecular weight 409.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]-3-methyl-1-oxopyrido[1,2-a]benzimidazole-4-carbonitrile
Also Known As: CBKinase1_011561, CBKinase1_023961, NYAD-S18, AB00593072-06, BRD-A79526853-001-01-3
| Molecular Formula | C22H27N5O3 |
|---|---|
| Molecular Weight | 409.21 g/mol |
| LogP | 0.4051 |
| Topological Polar Surface Area | 97.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 409.2114 |
| Heavy Atoms | 30 |
| Complexity | 1151.4752 |
Chemical Identifiers
| CAS Number | 831243-35-7 |
|---|---|
| SMILES | CC1=CC(=O)N2C3=CC=CC=C3N(C2=C1C#N)CC(CN4CCN(CC4)CCO)O |
Product Overview
CBKinase1_011561 (CAS 831243-35-7), with molecular formula C22H27N5O3 and molecular weight 409.21 g/mol. IUPAC: 5-[2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]-3-methyl-1-oxopyrido[1,2-a]benzimidazole-4-carbonitrile.
Chemical Property Profile of CBKinase1_011561
Property Insights of CBKinase1_011561
The XLogP value of 0.4051 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CBKinase1_011561. The TPSA of 97.14 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_011561. Following Lipinski's Rule of Five, CBKinase1_011561 has 2 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 CBKinase1_011561?
The CAS number of CBKinase1_011561 is 831243-35-7.
What is the molecular formula of CBKinase1_011561?
The molecular formula of CBKinase1_011561 is C22H27N5O3.
What is the molecular weight of CBKinase1_011561?
The molecular weight of CBKinase1_011561 is 409.21 g/mol.
Where can I buy CBKinase1_011561?
You can request a quote for CBKinase1_011561 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_011561?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_011561 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.