Spirost-5-en-3-yl benzoate
TL;DR: Spirost-5-en-3-yl benzoate (CAS 4952-68-5) is a chemical compound with molecular formula C34H46O4 and molecular weight 518.34 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) benzoate
Also Known As: Diosgenin benzoate, Spirost-5-en-3-yl benzoate #, (3alpha,25R)-Spirost-5-en-3-yl benzoate, [(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl] benzoate
| Molecular Formula | C34H46O4 |
|---|---|
| Molecular Weight | 518.34 g/mol |
| LogP | 7.9 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 518.3396 |
| Heavy Atoms | 38 |
| Complexity | 968.0 |
Chemical Identifiers
| CAS Number | 4952-68-5 |
|---|---|
| SMILES | CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC(=O)C7=CC=CC=C7)C)C)C)OC1 |
| InChIKey | CWUJEAGCIAAOMQ-UHFFFAOYSA-N |
Product Overview
Spirost-5-en-3-yl benzoate (CAS 4952-68-5), with molecular formula C34H46O4 and molecular weight 518.34 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) benzoate.
Chemical Property Profile of Spirost-5-en-3-yl benzoate
Property Insights of Spirost-5-en-3-yl benzoate
The XLogP value of 7.9 indicates that Spirost-5-en-3-yl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.8 Ų, Spirost-5-en-3-yl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Spirost-5-en-3-yl benzoate 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 benzoate?
The CAS number of Spirost-5-en-3-yl benzoate is 4952-68-5.
What is the molecular formula of Spirost-5-en-3-yl benzoate?
The molecular formula of Spirost-5-en-3-yl benzoate is C34H46O4.
What is the molecular weight of Spirost-5-en-3-yl benzoate?
The molecular weight of Spirost-5-en-3-yl benzoate is 518.34 g/mol.
Where can I buy Spirost-5-en-3-yl benzoate?
You can request a quote for Spirost-5-en-3-yl benzoate 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 benzoate?
Yes, KEHONG BIO provides custom synthesis services for Spirost-5-en-3-yl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.