CBKinase1_001049
TL;DR: CBKinase1_001049 (CAS 337496-31-8) is a chemical compound with molecular formula C25H31N3O3S and molecular weight 453.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(2,2-dimethyloxan-4-yl)-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl]sulfanylacetamide
Also Known As: CBKinase1_001049, CBKinase1_013449, BAS 01322205, AB00100623-01, AN-038/12879013
| Molecular Formula | C25H31N3O3S |
|---|---|
| Molecular Weight | 453.21 g/mol |
| LogP | 3.9857 |
| Topological Polar Surface Area | 87.21 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 453.20862 |
| Heavy Atoms | 32 |
| Complexity | 1117.9006 |
Chemical Identifiers
| CAS Number | 337496-31-8 |
|---|---|
| SMILES | CC1(CC(CCO1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCC5)N=C2SCC(=O)N)C |
Product Overview
CBKinase1_001049 (CAS 337496-31-8), with molecular formula C25H31N3O3S and molecular weight 453.21 g/mol. IUPAC: 2-[3-(2,2-dimethyloxan-4-yl)-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-2-yl]sulfanylacetamide.
Chemical Property Profile of CBKinase1_001049
Property Insights of CBKinase1_001049
The XLogP value of 3.9857 indicates that CBKinase1_001049 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.21 Ų falls within the moderate polarity range, balancing permeability and solubility for CBKinase1_001049. Following Lipinski's Rule of Five, CBKinase1_001049 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 CBKinase1_001049?
The CAS number of CBKinase1_001049 is 337496-31-8.
What is the molecular formula of CBKinase1_001049?
The molecular formula of CBKinase1_001049 is C25H31N3O3S.
What is the molecular weight of CBKinase1_001049?
The molecular weight of CBKinase1_001049 is 453.21 g/mol.
Where can I buy CBKinase1_001049?
You can request a quote for CBKinase1_001049 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_001049?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_001049 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.