![(3'E)-3'-benzylidene-8-(cyclohex-1-en-1-yl)-8a-hydroxy-2-phenylhexahydro-2'H,4H-spiro[chromene-3,1'-cyclopentan]-2'-one structure](/static/products/114/114646-95-6.png)
(3'E)-3'-benzylidene-8-(cyclohex-1-en-1-yl)-8a-hydroxy-2-phenylhexahydro-2'H,4H-spiro[chromene-3,1'-cyclopentan]-2'-one
TL;DR: (3'E)-3'-benzylidene-8-(cyclohex-1-en-1-yl)-8a-hydroxy-2-phenylhexahydro-2'H,4H-spiro[chromene-3,1'-cyclopentan]-2'-one (CAS 114646-95-6) is a chemical compound with molecular formula C32H36O3 and molecular weight 468.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5'E)-5'-benzylidene-8-(cyclohexen-1-yl)-8a-hydroxy-2-phenylspiro[4,4a,5,6,7,8-hexahydro-2H-chromene-3,2'-cyclopentane]-1'-one
Also Known As: (3'E)-3'-benzylidene-8-(cyclohex-1-en-1-yl)-8a-hydroxy-2-phenylhexahydro-2'H,4H-spiro[chromene-3,1'-cyclopentan]-2'-one, (5'E)-5'-benzylidene-8-(cyclohexen-1-yl)-8a-hydroxy-2-phenylspiro[4,4a,5,6,7,8-hexahydro-2H-chromene-3,2'-cyclopentane]-1'-one, (E)-3'-benzylidene-8-(cyclohex-1-en-1-yl)-8a-hydroxy-2-phenyloctahydrospiro[chromene-3,1'-cyclopentan]-2'-one
| Molecular Formula | C32H36O3 |
|---|---|
| Molecular Weight | 468.27 g/mol |
| LogP | 7.1862 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 468.26645 |
| Heavy Atoms | 35 |
| Complexity | 1133.913 |
Chemical Identifiers
| CAS Number | 114646-95-6 |
|---|---|
| SMILES | C1CCC(=CC1)C2CCCC3C2(OC(C4(C3)CC/C(=C\C5=CC=CC=C5)/C4=O)C6=CC=CC=C6)O |
Product Overview
(3'E)-3'-benzylidene-8-(cyclohex-1-en-1-yl)-8a-hydroxy-2-phenylhexahydro-2'H,4H-spiro[chromene-3,1'-cyclopentan]-2'-one (CAS 114646-95-6), with molecular formula C32H36O3 and molecular weight 468.27 g/mol. IUPAC: (5'E)-5'-benzylidene-8-(cyclohexen-1-yl)-8a-hydroxy-2-phenylspiro[4,4a,5,6,7,8-hexahydro-2H-chromene-3,2'-cyclopentane]-1'-one.
Chemical Property Profile of (3'E)-3'-benzylidene-8-(cyclohex-1-en-1-yl)-8a-hydroxy-2-phenylhexahydro-2'H,4H-spiro[chromene-3,1'-cyclopentan]-2'-one
Property Insights of (3'E)-3'-benzylidene-8-(cyclohex-1-en-1-yl)-8a-hydroxy-2-phenylhexahydro-2'H,4H-spiro[chromene-3,1'-cyclopentan]-2'-one
The XLogP value of 7.1862 indicates that (3'E)-3'-benzylidene-8-(cyclohex-1-en-1-yl)-8a-hydroxy-2-phenylhexahydro-2'H,4H-spiro[chromene-3,1'-cyclopentan]-2'-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.53 Ų, (3'E)-3'-benzylidene-8-(cyclohex-1-en-1-yl)-8a-hydroxy-2-phenylhexahydro-2'H,4H-spiro[chromene-3,1'-cyclopentan]-2'-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3'E)-3'-benzylidene-8-(cyclohex-1-en-1-yl)-8a-hydroxy-2-phenylhexahydro-2'H,4H-spiro[chromene-3,1'-cyclopentan]-2'-one 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 (3'E)-3'-benzylidene-8-(cyclohex-1-en-1-yl)-8a-hydroxy-2-phenylhexahydro-2'H,4H-spiro[chromene-3,1'-cyclopentan]-2'-one?
The CAS number of (3'E)-3'-benzylidene-8-(cyclohex-1-en-1-yl)-8a-hydroxy-2-phenylhexahydro-2'H,4H-spiro[chromene-3,1'-cyclopentan]-2'-one is 114646-95-6.
What is the molecular formula of (3'E)-3'-benzylidene-8-(cyclohex-1-en-1-yl)-8a-hydroxy-2-phenylhexahydro-2'H,4H-spiro[chromene-3,1'-cyclopentan]-2'-one?
The molecular formula of (3'E)-3'-benzylidene-8-(cyclohex-1-en-1-yl)-8a-hydroxy-2-phenylhexahydro-2'H,4H-spiro[chromene-3,1'-cyclopentan]-2'-one is C32H36O3.
What is the molecular weight of (3'E)-3'-benzylidene-8-(cyclohex-1-en-1-yl)-8a-hydroxy-2-phenylhexahydro-2'H,4H-spiro[chromene-3,1'-cyclopentan]-2'-one?
The molecular weight of (3'E)-3'-benzylidene-8-(cyclohex-1-en-1-yl)-8a-hydroxy-2-phenylhexahydro-2'H,4H-spiro[chromene-3,1'-cyclopentan]-2'-one is 468.27 g/mol.
Where can I buy (3'E)-3'-benzylidene-8-(cyclohex-1-en-1-yl)-8a-hydroxy-2-phenylhexahydro-2'H,4H-spiro[chromene-3,1'-cyclopentan]-2'-one?
You can request a quote for (3'E)-3'-benzylidene-8-(cyclohex-1-en-1-yl)-8a-hydroxy-2-phenylhexahydro-2'H,4H-spiro[chromene-3,1'-cyclopentan]-2'-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3'E)-3'-benzylidene-8-(cyclohex-1-en-1-yl)-8a-hydroxy-2-phenylhexahydro-2'H,4H-spiro[chromene-3,1'-cyclopentan]-2'-one?
Yes, KEHONG BIO provides custom synthesis services for (3'E)-3'-benzylidene-8-(cyclohex-1-en-1-yl)-8a-hydroxy-2-phenylhexahydro-2'H,4H-spiro[chromene-3,1'-cyclopentan]-2'-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.