ChemDiv1_009377
TL;DR: ChemDiv1_009377 (CAS 332849-69-1) is a chemical compound with molecular formula C27H29N3O2S and molecular weight 459.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-oxo-3-(2-phenylethyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl]sulfanylacetamide
Also Known As: ChemDiv1_009377, CBKinase1_001373, CBKinase1_013773, BAS 01836201, AJ-292/12641157
| Molecular Formula | C27H29N3O2S |
|---|---|
| Molecular Weight | 459.20 g/mol |
| LogP | 4.4884 |
| Topological Polar Surface Area | 77.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 459.19806 |
| Heavy Atoms | 33 |
| Complexity | 1229.859 |
Chemical Identifiers
| CAS Number | 332849-69-1 |
|---|---|
| SMILES | C1CCC2(CC1)CC3=CC=CC=C3C4=C2C(=O)N(C(=N4)SCC(=O)N)CCC5=CC=CC=C5 |
Product Overview
ChemDiv1_009377 (CAS 332849-69-1), with molecular formula C27H29N3O2S and molecular weight 459.20 g/mol. IUPAC: 2-[4-oxo-3-(2-phenylethyl)spiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl]sulfanylacetamide.
Chemical Property Profile of ChemDiv1_009377
Property Insights of ChemDiv1_009377
The XLogP value of 4.4884 indicates that ChemDiv1_009377 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_009377. Following Lipinski's Rule of Five, ChemDiv1_009377 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_009377?
The CAS number of ChemDiv1_009377 is 332849-69-1.
What is the molecular formula of ChemDiv1_009377?
The molecular formula of ChemDiv1_009377 is C27H29N3O2S.
What is the molecular weight of ChemDiv1_009377?
The molecular weight of ChemDiv1_009377 is 459.20 g/mol.
Where can I buy ChemDiv1_009377?
You can request a quote for ChemDiv1_009377 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_009377?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_009377 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.