ChemDiv1_009131
TL;DR: ChemDiv1_009131 (CAS 303088-77-9) is a chemical compound with molecular formula C27H36N2O2S and molecular weight 452.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butylsulfanyl-3-(2,2-dimethyloxan-4-yl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one
Also Known As: ChemDiv1_009131, BAS 00818605, 2-(butylsulfanyl)-3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-5,6-dihydro-4(3H)-oxospiro(benzo[h]quinazoline-5,1'-cyclopentane), 2-butylsulfanyl-3-(2,2-dimethyloxan-4-yl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one, 2-(BUTYLSULFANYL)-3-(2,2-DIMETHYLOXAN-4-YL)-4,6-DIHYDRO-3H-SPIRO[BENZO[H]QUINAZOLINE-5,1'-CYCLOPENTAN]-4-ONE
| Molecular Formula | C27H36N2O2S |
|---|---|
| Molecular Weight | 452.25 g/mol |
| LogP | 6.3005 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 452.24976 |
| Heavy Atoms | 32 |
| Complexity | 1052.1073 |
Chemical Identifiers
| CAS Number | 303088-77-9 |
|---|---|
| SMILES | CCCCSC1=NC2=C(C(=O)N1C3CCOC(C3)(C)C)C4(CCCC4)CC5=CC=CC=C52 |
Product Overview
ChemDiv1_009131 (CAS 303088-77-9), with molecular formula C27H36N2O2S and molecular weight 452.25 g/mol. IUPAC: 2-butylsulfanyl-3-(2,2-dimethyloxan-4-yl)spiro[6H-benzo[h]quinazoline-5,1'-cyclopentane]-4-one.
Chemical Property Profile of ChemDiv1_009131
Property Insights of ChemDiv1_009131
The XLogP value of 6.3005 indicates that ChemDiv1_009131 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.12 Ų, ChemDiv1_009131 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_009131 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_009131?
The CAS number of ChemDiv1_009131 is 303088-77-9.
What is the molecular formula of ChemDiv1_009131?
The molecular formula of ChemDiv1_009131 is C27H36N2O2S.
What is the molecular weight of ChemDiv1_009131?
The molecular weight of ChemDiv1_009131 is 452.25 g/mol.
Where can I buy ChemDiv1_009131?
You can request a quote for ChemDiv1_009131 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_009131?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_009131 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.