21-(4-(Ethylidene)-2-tetrahydrofuranmethacryloyl)machaerinic acid
TL;DR: 21-(4-(Ethylidene)-2-tetrahydrofuranmethacryloyl)machaerinic acid (CAS 91452-89-0) is a chemical compound with molecular formula C40H60O6 and molecular weight 636.44 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,4aR,6aR,6aS,6bR,10S,12aR,14bR)-3-[(E)-3-[(4Z)-4-ethylideneoxolan-2-yl]-2-methylprop-2-enoyl]oxy-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Also Known As: 21-(4-(Ethylidene)-2-tetrahydrofuranmethacryloyl)machaerinic acid, Olean-12-en-28-oic acid, 21-((3-(4-ethylidenetetrahydro-2-furanyl)-2-methyl-1-oxo-2-propenyl)oxy)-3-hydroxy-, (3beta,21beta)-, (3S,4aR,6aR,6aS,6bR,10S,12aR,14bR)-3-[(E)-3-[(4Z)-4-ethylideneoxolan-2-yl]-2-methylprop-2-enoyl]oxy-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
| Molecular Formula | C40H60O6 |
|---|---|
| Molecular Weight | 636.44 g/mol |
| LogP | 8.4368 |
| Topological Polar Surface Area | 93.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 636.43896 |
| Heavy Atoms | 46 |
| Complexity | 1369.1161 |
Chemical Identifiers
| CAS Number | 91452-89-0 |
|---|---|
| SMILES | C/C=C\1/CC(OC1)/C=C(\C)/C(=O)O[C@H]2C[C@@]3(CC[C@@]4(C(=CC[C@H]5[C@]4(CCC6[C@@]5(CC[C@@H](C6(C)C)O)C)C)[C@H]3CC2(C)C)C)C(=O)O |
Product Overview
21-(4-(Ethylidene)-2-tetrahydrofuranmethacryloyl)machaerinic acid (CAS 91452-89-0), with molecular formula C40H60O6 and molecular weight 636.44 g/mol. IUPAC: (3S,4aR,6aR,6aS,6bR,10S,12aR,14bR)-3-[(E)-3-[(4Z)-4-ethylideneoxolan-2-yl]-2-methylprop-2-enoyl]oxy-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid.
Chemical Property Profile of 21-(4-(Ethylidene)-2-tetrahydrofuranmethacryloyl)machaerinic acid
Property Insights of 21-(4-(Ethylidene)-2-tetrahydrofuranmethacryloyl)machaerinic acid
The XLogP value of 8.4368 indicates that 21-(4-(Ethylidene)-2-tetrahydrofuranmethacryloyl)machaerinic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 21-(4-(Ethylidene)-2-tetrahydrofuranmethacryloyl)machaerinic acid. Following Lipinski's Rule of Five, 21-(4-(Ethylidene)-2-tetrahydrofuranmethacryloyl)machaerinic acid has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 21-(4-(Ethylidene)-2-tetrahydrofuranmethacryloyl)machaerinic acid?
The CAS number of 21-(4-(Ethylidene)-2-tetrahydrofuranmethacryloyl)machaerinic acid is 91452-89-0.
What is the molecular formula of 21-(4-(Ethylidene)-2-tetrahydrofuranmethacryloyl)machaerinic acid?
The molecular formula of 21-(4-(Ethylidene)-2-tetrahydrofuranmethacryloyl)machaerinic acid is C40H60O6.
What is the molecular weight of 21-(4-(Ethylidene)-2-tetrahydrofuranmethacryloyl)machaerinic acid?
The molecular weight of 21-(4-(Ethylidene)-2-tetrahydrofuranmethacryloyl)machaerinic acid is 636.44 g/mol.
Where can I buy 21-(4-(Ethylidene)-2-tetrahydrofuranmethacryloyl)machaerinic acid?
You can request a quote for 21-(4-(Ethylidene)-2-tetrahydrofuranmethacryloyl)machaerinic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 21-(4-(Ethylidene)-2-tetrahydrofuranmethacryloyl)machaerinic acid?
Yes, KEHONG BIO provides custom synthesis services for 21-(4-(Ethylidene)-2-tetrahydrofuranmethacryloyl)machaerinic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.