Spirosta-5,7-dien-3-yl acetate
TL;DR: Spirosta-5,7-dien-3-yl acetate (CAS 64110-65-2) is a chemical compound with molecular formula C29H42O4 and molecular weight 454.31 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]icosa-1(20),18-diene-6,2'-oxane]-16-yl) acetate
Also Known As: 7-Dehydrodiosgenin acetate, O-Acetyl-7-dehydrodiosgenin, 7-Dehydrodiosgenin 3-acetate, Spirosta-5,7-dien-3-yl acetate, Spirosta-5,7-dien-3-yl acetate #
| Molecular Formula | C29H42O4 |
|---|---|
| Molecular Weight | 454.31 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 454.30832 |
| Heavy Atoms | 33 |
| Complexity | 905.0 |
Chemical Identifiers
| CAS Number | 64110-65-2 |
|---|---|
| SMILES | CC1CCC2(C(C3C(O2)CC4C3(CCC5C4=CC=C6C5(CCC(C6)OC(=O)C)C)C)C)OC1 |
| InChIKey | RCKXXRKVQLJHEM-UHFFFAOYSA-N |
Product Overview
Spirosta-5,7-dien-3-yl acetate (CAS 64110-65-2), with molecular formula C29H42O4 and molecular weight 454.31 g/mol. IUPAC: (5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-1(20),18-diene-6,2'-oxane]-16-yl) acetate.
Chemical Property Profile of Spirosta-5,7-dien-3-yl acetate
Property Insights of Spirosta-5,7-dien-3-yl acetate
The XLogP value of 5.7 indicates that Spirosta-5,7-dien-3-yl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.8 Ų, Spirosta-5,7-dien-3-yl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Spirosta-5,7-dien-3-yl acetate 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 Spirosta-5,7-dien-3-yl acetate?
The CAS number of Spirosta-5,7-dien-3-yl acetate is 64110-65-2.
What is the molecular formula of Spirosta-5,7-dien-3-yl acetate?
The molecular formula of Spirosta-5,7-dien-3-yl acetate is C29H42O4.
What is the molecular weight of Spirosta-5,7-dien-3-yl acetate?
The molecular weight of Spirosta-5,7-dien-3-yl acetate is 454.31 g/mol.
Where can I buy Spirosta-5,7-dien-3-yl acetate?
You can request a quote for Spirosta-5,7-dien-3-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Spirosta-5,7-dien-3-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for Spirosta-5,7-dien-3-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.