ChemDiv1_009245
TL;DR: ChemDiv1_009245 (CAS 332849-67-9) is a chemical compound with molecular formula C26H27N3O2S and molecular weight 445.18 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'-cyclohexane]-2-yl)sulfanylacetamide
Also Known As: ChemDiv1_009245, CBKinase1_001017, CBKinase1_013417, BAS 01836179, AB00100848-01
| Molecular Formula | C26H27N3O2S |
|---|---|
| Molecular Weight | 445.18 g/mol |
| LogP | 4.294 |
| Topological Polar Surface Area | 77.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 445.1824 |
| Heavy Atoms | 32 |
| Complexity | 1213.4868 |
Chemical Identifiers
| CAS Number | 332849-67-9 |
|---|---|
| SMILES | C1CCC2(CC1)CC3=CC=CC=C3C4=C2C(=O)N(C(=N4)SCC(=O)N)CC5=CC=CC=C5 |
Product Overview
ChemDiv1_009245 (CAS 332849-67-9), with molecular formula C26H27N3O2S and molecular weight 445.18 g/mol. IUPAC: 2-(3-benzyl-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)sulfanylacetamide.
Chemical Property Profile of ChemDiv1_009245
Property Insights of ChemDiv1_009245
The XLogP value of 4.294 indicates that ChemDiv1_009245 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 ChemDiv1_009245. Following Lipinski's Rule of Five, ChemDiv1_009245 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 ChemDiv1_009245?
The CAS number of ChemDiv1_009245 is 332849-67-9.
What is the molecular formula of ChemDiv1_009245?
The molecular formula of ChemDiv1_009245 is C26H27N3O2S.
What is the molecular weight of ChemDiv1_009245?
The molecular weight of ChemDiv1_009245 is 445.18 g/mol.
Where can I buy ChemDiv1_009245?
You can request a quote for ChemDiv1_009245 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_009245?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_009245 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.