ChemDiv1_021266
TL;DR: ChemDiv1_021266 (CAS 295313-61-0) is a chemical compound with molecular formula C23H28N2O2S and molecular weight 396.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,2-dimethyloxan-4-yl)-2-sulfanylidenespiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one
Also Known As: ChemDiv1_021266, BAS 00690698, AL-281/36997024, A1959/0082416, 3-(2,2-dimethyloxan-4-yl)-2-sulfanylidenespiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one
| Molecular Formula | C23H28N2O2S |
|---|---|
| Molecular Weight | 396.19 g/mol |
| LogP | 5.07089 |
| Topological Polar Surface Area | 47.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 396.18716 |
| Heavy Atoms | 28 |
| Complexity | 1043.2983 |
Chemical Identifiers
| CAS Number | 295313-61-0 |
|---|---|
| SMILES | CC1(CC(CCO1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCC5)NC2=S)C |
Product Overview
ChemDiv1_021266 (CAS 295313-61-0), with molecular formula C23H28N2O2S and molecular weight 396.19 g/mol. IUPAC: 3-(2,2-dimethyloxan-4-yl)-2-sulfanylidenespiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one.
Chemical Property Profile of ChemDiv1_021266
Property Insights of ChemDiv1_021266
The XLogP value of 5.07089 indicates that ChemDiv1_021266 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.02 Ų, ChemDiv1_021266 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_021266 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_021266?
The CAS number of ChemDiv1_021266 is 295313-61-0.
What is the molecular formula of ChemDiv1_021266?
The molecular formula of ChemDiv1_021266 is C23H28N2O2S.
What is the molecular weight of ChemDiv1_021266?
The molecular weight of ChemDiv1_021266 is 396.19 g/mol.
Where can I buy ChemDiv1_021266?
You can request a quote for ChemDiv1_021266 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_021266?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_021266 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.