Spirost-5-en-3-yl hexanoate
TL;DR: Spirost-5-en-3-yl hexanoate (CAS 4952-56-1) is a chemical compound with molecular formula C33H52O4 and molecular weight 512.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl) hexanoate
Also Known As: CAPROSPINOL, spirost-5-en-3-yl hexanoate, (5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl) hexanoate, (4S,5'R,6aR,6bS,8aS,8bR,9S,10R,11aS,12aS,12bS)-5',6a,8a,9-tetramethyl-1,3,3',4,4',5,5',6,6a,6b,6',7,8,8a,8b,9,11a,12,12a,12b-icosahydrospiro[naphtho[2',1':4,5]indeno[2,1-b]furan-10,2'-pyran]-4-yl hexanoate, (5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-tetrahydropyran]-16-yl) hexanoate
| Molecular Formula | C33H52O4 |
|---|---|
| Molecular Weight | 512.39 g/mol |
| LogP | 7.8451 |
| Topological Polar Surface Area | 44.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 512.38654 |
| Heavy Atoms | 37 |
| Complexity | 901.99915 |
Chemical Identifiers
| CAS Number | 4952-56-1 |
|---|---|
| SMILES | CCCCCC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CC5C4C(C6(O5)CCC(CO6)C)C)C)C |
Product Overview
Spirost-5-en-3-yl hexanoate (CAS 4952-56-1), with molecular formula C33H52O4 and molecular weight 512.39 g/mol. IUPAC: (5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl) hexanoate.
Chemical Property Profile of Spirost-5-en-3-yl hexanoate
Property Insights of Spirost-5-en-3-yl hexanoate
The XLogP value of 7.8451 indicates that Spirost-5-en-3-yl hexanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.76 Ų, Spirost-5-en-3-yl hexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Spirost-5-en-3-yl hexanoate 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 Spirost-5-en-3-yl hexanoate?
The CAS number of Spirost-5-en-3-yl hexanoate is 4952-56-1.
What is the molecular formula of Spirost-5-en-3-yl hexanoate?
The molecular formula of Spirost-5-en-3-yl hexanoate is C33H52O4.
What is the molecular weight of Spirost-5-en-3-yl hexanoate?
The molecular weight of Spirost-5-en-3-yl hexanoate is 512.39 g/mol.
Where can I buy Spirost-5-en-3-yl hexanoate?
You can request a quote for Spirost-5-en-3-yl hexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Spirost-5-en-3-yl hexanoate?
Yes, KEHONG BIO provides custom synthesis services for Spirost-5-en-3-yl hexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.