CBKinase1_003917
TL;DR: CBKinase1_003917 (CAS 694462-73-2) is a chemical compound with molecular formula C25H29N3O2 and molecular weight 403.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-ethyl-2-(3-hydroxypropylamino)-5-methyl-3-(4-methylphenyl)-6H-benzo[h]quinazolin-4-one
Also Known As: CBKinase1_003917, CBKinase1_016317, BRD-A75107980-001-01-2, 5-ethyl-2-[(3-hydroxypropyl)amino]-5-methyl-3-(4-methylphenyl)-5,6-dihydrobenzo[h]quinazolin-4(3H)-one, 5-ethyl-2-(3-hydroxypropylamino)-5-methyl-3-(4-methylphenyl)-6H-benzo[h]quinazolin-4-one
| Molecular Formula | C25H29N3O2 |
|---|---|
| Molecular Weight | 403.23 g/mol |
| LogP | 4.22602 |
| Topological Polar Surface Area | 67.15 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 403.22598 |
| Heavy Atoms | 30 |
| Complexity | 1118.2279 |
Chemical Identifiers
| CAS Number | 694462-73-2 |
|---|---|
| SMILES | CCC1(CC2=CC=CC=C2C3=C1C(=O)N(C(=N3)NCCCO)C4=CC=C(C=C4)C)C |
Product Overview
CBKinase1_003917 (CAS 694462-73-2), with molecular formula C25H29N3O2 and molecular weight 403.23 g/mol. IUPAC: 5-ethyl-2-(3-hydroxypropylamino)-5-methyl-3-(4-methylphenyl)-6H-benzo[h]quinazolin-4-one.
Chemical Property Profile of CBKinase1_003917
Property Insights of CBKinase1_003917
The XLogP value of 4.22602 indicates that CBKinase1_003917 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.15 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_003917. Following Lipinski's Rule of Five, CBKinase1_003917 has 2 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 CBKinase1_003917?
The CAS number of CBKinase1_003917 is 694462-73-2.
What is the molecular formula of CBKinase1_003917?
The molecular formula of CBKinase1_003917 is C25H29N3O2.
What is the molecular weight of CBKinase1_003917?
The molecular weight of CBKinase1_003917 is 403.23 g/mol.
Where can I buy CBKinase1_003917?
You can request a quote for CBKinase1_003917 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_003917?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_003917 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.