ChemDiv1_005890
TL;DR: ChemDiv1_005890 (CAS 352658-95-8) is a chemical compound with molecular formula C25H31N3O2S and molecular weight 437.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-cyclohexyl-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)sulfanylacetamide
Also Known As: ChemDiv1_005890, BAS 02141645, AJ-292/14556032, 2-(3-cyclohexyl-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)sulfanylacetamide, 2-[(3-cyclohexyl-4-oxo-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-2-yl)sulfanyl]acetamide
| Molecular Formula | C25H31N3O2S |
|---|---|
| Molecular Weight | 437.21 g/mol |
| LogP | 4.7509 |
| Topological Polar Surface Area | 77.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 437.21368 |
| Heavy Atoms | 31 |
| Complexity | 1049.218 |
Chemical Identifiers
| CAS Number | 352658-95-8 |
|---|---|
| SMILES | C1CCC(CC1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2SCC(=O)N |
Product Overview
ChemDiv1_005890 (CAS 352658-95-8), with molecular formula C25H31N3O2S and molecular weight 437.21 g/mol. IUPAC: 2-(3-cyclohexyl-4-oxospiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-2-yl)sulfanylacetamide.
Chemical Property Profile of ChemDiv1_005890
Property Insights of ChemDiv1_005890
The XLogP value of 4.7509 indicates that ChemDiv1_005890 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_005890. Following Lipinski's Rule of Five, ChemDiv1_005890 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_005890?
The CAS number of ChemDiv1_005890 is 352658-95-8.
What is the molecular formula of ChemDiv1_005890?
The molecular formula of ChemDiv1_005890 is C25H31N3O2S.
What is the molecular weight of ChemDiv1_005890?
The molecular weight of ChemDiv1_005890 is 437.21 g/mol.
Where can I buy ChemDiv1_005890?
You can request a quote for ChemDiv1_005890 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_005890?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_005890 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.