3',12a-dimethyl-8-phenylmethoxyspiro[4,4a,4b,5,6,10b,11,12-octahydronaphtho[2,1-f]isochromene-1,2'-oxolane]-3-one
TL;DR: 3',12a-dimethyl-8-phenylmethoxyspiro[4,4a,4b,5,6,10b,11,12-octahydronaphtho[2,1-f]isochromene-1,2'-oxolane]-3-one (CAS 7228-43-5) is a chemical compound with molecular formula C29H34O4 and molecular weight 446.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3',12a-dimethyl-8-phenylmethoxyspiro[4,4a,4b,5,6,10b,11,12-octahydronaphtho[2,1-f]isochromene-1,2'-oxolane]-3-one
Also Known As: 3',12a-dimethyl-8-phenylmethoxyspiro[4,4a,4b,5,6,10b,11,12-octahydronaphtho[2,1-f]isochromene-1,2'-oxolane]-3-one, 8'-(Benzyloxy)-3,12'a-dimethyl-4'a,4'b,5',6',10'b,11',12',12'a-octahydrospiro[oxolane-2,1'-phenanthro[2,1-c]pyran]-3'(4'H)-one
| Molecular Formula | C29H34O4 |
|---|---|
| Molecular Weight | 446.25 g/mol |
| LogP | 6.0275 |
| Topological Polar Surface Area | 44.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 446.2457 |
| Heavy Atoms | 33 |
| Complexity | 1048.8423 |
Chemical Identifiers
| CAS Number | 7228-43-5 |
|---|---|
| SMILES | CC1CCOC12C3(CCC4C(C3CC(=O)O2)CCC5=C4C=CC(=C5)OCC6=CC=CC=C6)C |
Product Overview
3',12a-dimethyl-8-phenylmethoxyspiro[4,4a,4b,5,6,10b,11,12-octahydronaphtho[2,1-f]isochromene-1,2'-oxolane]-3-one (CAS 7228-43-5), with molecular formula C29H34O4 and molecular weight 446.25 g/mol. IUPAC: 3',12a-dimethyl-8-phenylmethoxyspiro[4,4a,4b,5,6,10b,11,12-octahydronaphtho[2,1-f]isochromene-1,2'-oxolane]-3-one.
Chemical Property Profile of 3',12a-dimethyl-8-phenylmethoxyspiro[4,4a,4b,5,6,10b,11,12-octahydronaphtho[2,1-f]isochromene-1,2'-oxolane]-3-one
Property Insights of 3',12a-dimethyl-8-phenylmethoxyspiro[4,4a,4b,5,6,10b,11,12-octahydronaphtho[2,1-f]isochromene-1,2'-oxolane]-3-one
The XLogP value of 6.0275 indicates that 3',12a-dimethyl-8-phenylmethoxyspiro[4,4a,4b,5,6,10b,11,12-octahydronaphtho[2,1-f]isochromene-1,2'-oxolane]-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.76 Ų, 3',12a-dimethyl-8-phenylmethoxyspiro[4,4a,4b,5,6,10b,11,12-octahydronaphtho[2,1-f]isochromene-1,2'-oxolane]-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3',12a-dimethyl-8-phenylmethoxyspiro[4,4a,4b,5,6,10b,11,12-octahydronaphtho[2,1-f]isochromene-1,2'-oxolane]-3-one 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 3',12a-dimethyl-8-phenylmethoxyspiro[4,4a,4b,5,6,10b,11,12-octahydronaphtho[2,1-f]isochromene-1,2'-oxolane]-3-one?
The CAS number of 3',12a-dimethyl-8-phenylmethoxyspiro[4,4a,4b,5,6,10b,11,12-octahydronaphtho[2,1-f]isochromene-1,2'-oxolane]-3-one is 7228-43-5.
What is the molecular formula of 3',12a-dimethyl-8-phenylmethoxyspiro[4,4a,4b,5,6,10b,11,12-octahydronaphtho[2,1-f]isochromene-1,2'-oxolane]-3-one?
The molecular formula of 3',12a-dimethyl-8-phenylmethoxyspiro[4,4a,4b,5,6,10b,11,12-octahydronaphtho[2,1-f]isochromene-1,2'-oxolane]-3-one is C29H34O4.
What is the molecular weight of 3',12a-dimethyl-8-phenylmethoxyspiro[4,4a,4b,5,6,10b,11,12-octahydronaphtho[2,1-f]isochromene-1,2'-oxolane]-3-one?
The molecular weight of 3',12a-dimethyl-8-phenylmethoxyspiro[4,4a,4b,5,6,10b,11,12-octahydronaphtho[2,1-f]isochromene-1,2'-oxolane]-3-one is 446.25 g/mol.
Where can I buy 3',12a-dimethyl-8-phenylmethoxyspiro[4,4a,4b,5,6,10b,11,12-octahydronaphtho[2,1-f]isochromene-1,2'-oxolane]-3-one?
You can request a quote for 3',12a-dimethyl-8-phenylmethoxyspiro[4,4a,4b,5,6,10b,11,12-octahydronaphtho[2,1-f]isochromene-1,2'-oxolane]-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3',12a-dimethyl-8-phenylmethoxyspiro[4,4a,4b,5,6,10b,11,12-octahydronaphtho[2,1-f]isochromene-1,2'-oxolane]-3-one?
Yes, KEHONG BIO provides custom synthesis services for 3',12a-dimethyl-8-phenylmethoxyspiro[4,4a,4b,5,6,10b,11,12-octahydronaphtho[2,1-f]isochromene-1,2'-oxolane]-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.