ChemDiv1_008913
TL;DR: ChemDiv1_008913 (CAS 303179-65-9) is a chemical compound with molecular formula C27H32N2O2S and molecular weight 448.22 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-prop-2-ynylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
Also Known As: ChemDiv1_008913, BAS 00818628, 3-(2,2-dimethyloxan-4-yl)-2-prop-2-ynylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one, 3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-2-(prop-2-ynylsulfanyl)-5,6-dihydro-4(3H)-oxospiro(benzo[h]quinazoline-5,1'-cyclohexane), 3-(2,2-dimethyl(2H-3,4,5,6-tetrahydropyran-4-yl))-2-prop-2-ynylthiospiro[3,5,6 -trihydrobenzo[h]quinazoline-5,1'-cyclohexane]-4-one
| Molecular Formula | C27H32N2O2S |
|---|---|
| Molecular Weight | 448.22 g/mol |
| LogP | 5.5237 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 448.21844 |
| Heavy Atoms | 32 |
| Complexity | 1121.4519 |
Chemical Identifiers
| CAS Number | 303179-65-9 |
|---|---|
| SMILES | CC1(CC(CCO1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N=C2SCC#C)C |
Product Overview
ChemDiv1_008913 (CAS 303179-65-9), with molecular formula C27H32N2O2S and molecular weight 448.22 g/mol. IUPAC: 3-(2,2-dimethyloxan-4-yl)-2-prop-2-ynylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one.
Chemical Property Profile of ChemDiv1_008913
Property Insights of ChemDiv1_008913
The XLogP value of 5.5237 indicates that ChemDiv1_008913 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_008913 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_008913 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_008913?
The CAS number of ChemDiv1_008913 is 303179-65-9.
What is the molecular formula of ChemDiv1_008913?
The molecular formula of ChemDiv1_008913 is C27H32N2O2S.
What is the molecular weight of ChemDiv1_008913?
The molecular weight of ChemDiv1_008913 is 448.22 g/mol.
Where can I buy ChemDiv1_008913?
You can request a quote for ChemDiv1_008913 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_008913?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_008913 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.