CBKinase1_001578
TL;DR: CBKinase1_001578 (CAS 337487-62-4) is a chemical compound with molecular formula C25H25N3O2S and molecular weight 431.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-benzyl-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl)sulfanylacetamide
Also Known As: CBKinase1_001578, CBKinase1_013978, BAS 01312874, AB00101476-01, AJ-292/13093120
| Molecular Formula | C25H25N3O2S |
|---|---|
| Molecular Weight | 431.17 g/mol |
| LogP | 3.9039 |
| Topological Polar Surface Area | 77.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 431.16675 |
| Heavy Atoms | 31 |
| Complexity | 1197.1342 |
Chemical Identifiers
| CAS Number | 337487-62-4 |
|---|---|
| SMILES | C1CCC2(C1)CC3=CC=CC=C3C4=C2C(=O)N(C(=N4)SCC(=O)N)CC5=CC=CC=C5 |
Product Overview
CBKinase1_001578 (CAS 337487-62-4), with molecular formula C25H25N3O2S and molecular weight 431.17 g/mol. IUPAC: 2-(3-benzyl-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl)sulfanylacetamide.
Chemical Property Profile of CBKinase1_001578
Property Insights of CBKinase1_001578
The XLogP value of 3.9039 indicates that CBKinase1_001578 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.98 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_001578. Following Lipinski's Rule of Five, CBKinase1_001578 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 CBKinase1_001578?
The CAS number of CBKinase1_001578 is 337487-62-4.
What is the molecular formula of CBKinase1_001578?
The molecular formula of CBKinase1_001578 is C25H25N3O2S.
What is the molecular weight of CBKinase1_001578?
The molecular weight of CBKinase1_001578 is 431.17 g/mol.
Where can I buy CBKinase1_001578?
You can request a quote for CBKinase1_001578 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_001578?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_001578 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.