CBKinase1_001087
TL;DR: CBKinase1_001087 (CAS 337496-39-6) is a chemical compound with molecular formula C26H27N3O3S and molecular weight 461.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(4-methoxyphenyl)-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl]sulfanylacetamide
Also Known As: CBKinase1_001087, CBKinase1_013487, BAS 01322209, AB00100662-01, BRD-K77107723-001-01-0
| Molecular Formula | C26H27N3O3S |
|---|---|
| Molecular Weight | 461.18 g/mol |
| LogP | 4.2435 |
| Topological Polar Surface Area | 87.21 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 461.1773 |
| Heavy Atoms | 33 |
| Complexity | 1260.764 |
Chemical Identifiers
| CAS Number | 337496-39-6 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2SCC(=O)N |
Product Overview
CBKinase1_001087 (CAS 337496-39-6), with molecular formula C26H27N3O3S and molecular weight 461.18 g/mol. IUPAC: 2-[3-(4-methoxyphenyl)-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl]sulfanylacetamide.
Chemical Property Profile of CBKinase1_001087
Property Insights of CBKinase1_001087
The XLogP value of 4.2435 indicates that CBKinase1_001087 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_001087. Following Lipinski's Rule of Five, CBKinase1_001087 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_001087?
The CAS number of CBKinase1_001087 is 337496-39-6.
What is the molecular formula of CBKinase1_001087?
The molecular formula of CBKinase1_001087 is C26H27N3O3S.
What is the molecular weight of CBKinase1_001087?
The molecular weight of CBKinase1_001087 is 461.18 g/mol.
Where can I buy CBKinase1_001087?
You can request a quote for CBKinase1_001087 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CBKinase1_001087?
Yes, KEHONG BIO provides custom synthesis services for CBKinase1_001087 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.