5beta,20-O,O-Isopropylidineingenol, 3beta-palmitate
TL;DR: 5beta,20-O,O-Isopropylidineingenol, 3beta-palmitate (CAS 77573-06-9) is a chemical compound with molecular formula C39H62O6 and molecular weight 626.45 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-hydroxy-3,8,8,15,15,18-hexamethyl-19-oxo-7,9-dioxapentacyclo[11.5.1.01,5.06,11.014,16]nonadeca-2,11-dien-4-yl) hexadecanoate
Also Known As: 5beta,20-O,O-Isopropylidineingenol, 3beta-palmitate, (5-hydroxy-3,8,8,15,15,18-hexamethyl-19-oxo-7,9-dioxapentacyclo[11.5.1.01,5.06,11.014,16]nonadeca-2,11-dien-4-yl) hexadecanoate, 12a-Hydroxy-2,2,7,7,9,11-hexamethyl-13-oxo-6,7,7a,8,9,12,12a,12b-octahydro-2H,4H,6aH-6,9a-methanocyclopenta[9,10]cyclopropa[5,6]cyclodeca[1,2-d][1,3]dioxin-12-yl hexadecanoate, RefChem:305085
| Molecular Formula | C39H62O6 |
|---|---|
| Molecular Weight | 626.45 g/mol |
| LogP | 9.1 |
| Topological Polar Surface Area | 82.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 16 |
| Exact Mass | 626.45465 |
| Heavy Atoms | 45 |
| Complexity | 1150.0 |
Chemical Identifiers
| CAS Number | 77573-06-9 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCC(=O)OC1C(=CC23C1(C4C(=CC(C2=O)C5C(C5(C)C)CC3C)COC(O4)(C)C)O)C |
| InChIKey | FGFHNMBIMRVWIW-UHFFFAOYSA-N |
Product Overview
5beta,20-O,O-Isopropylidineingenol, 3beta-palmitate (CAS 77573-06-9), with molecular formula C39H62O6 and molecular weight 626.45 g/mol. IUPAC: (5-hydroxy-3,8,8,15,15,18-hexamethyl-19-oxo-7,9-dioxapentacyclo[11.5.1.01,5.06,11.014,16]nonadeca-2,11-dien-4-yl) hexadecanoate.
Chemical Property Profile of 5beta,20-O,O-Isopropylidineingenol, 3beta-palmitate
Property Insights of 5beta,20-O,O-Isopropylidineingenol, 3beta-palmitate
The XLogP value of 9.1 indicates that 5beta,20-O,O-Isopropylidineingenol, 3beta-palmitate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 5beta,20-O,O-Isopropylidineingenol, 3beta-palmitate. Following Lipinski's Rule of Five, 5beta,20-O,O-Isopropylidineingenol, 3beta-palmitate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5beta,20-O,O-Isopropylidineingenol, 3beta-palmitate?
The CAS number of 5beta,20-O,O-Isopropylidineingenol, 3beta-palmitate is 77573-06-9.
What is the molecular formula of 5beta,20-O,O-Isopropylidineingenol, 3beta-palmitate?
The molecular formula of 5beta,20-O,O-Isopropylidineingenol, 3beta-palmitate is C39H62O6.
What is the molecular weight of 5beta,20-O,O-Isopropylidineingenol, 3beta-palmitate?
The molecular weight of 5beta,20-O,O-Isopropylidineingenol, 3beta-palmitate is 626.45 g/mol.
Where can I buy 5beta,20-O,O-Isopropylidineingenol, 3beta-palmitate?
You can request a quote for 5beta,20-O,O-Isopropylidineingenol, 3beta-palmitate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5beta,20-O,O-Isopropylidineingenol, 3beta-palmitate?
Yes, KEHONG BIO provides custom synthesis services for 5beta,20-O,O-Isopropylidineingenol, 3beta-palmitate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.