O-Palmityllongispinogenin
TL;DR: O-Palmityllongispinogenin (CAS 122249-95-0) is a chemical compound with molecular formula C46H80O4 and molecular weight 696.61 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,6aR,6bS,8S,8aS,12aR,14aR,14bR)-8-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl] hexadecanoate
Also Known As: O-Palmityllongispinogenin, 16,28-Dihydroxyolean-12-en-3-yl hexadecanoate, [(3S,6aR,6bS,8S,8aS,12aR,14aR,14bR)-8-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl] hexadecanoate, Olean-12-ene-3,16,28-triol, 3-hexadecanoate, (3beta,16beta)-, (5xi)-16beta,28-Dihydroxy-18alpha-olean-12-en-3beta-yl hexadecanoate
| Molecular Formula | C46H80O4 |
|---|---|
| Molecular Weight | 696.61 g/mol |
| LogP | 14.9 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 17 |
| Exact Mass | 696.60565 |
| Heavy Atoms | 50 |
| Complexity | 1170.0 |
Chemical Identifiers
| CAS Number | 122249-95-0 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC=C4[C@H]5CC(CC[C@@]5([C@H](C[C@]4([C@@]3(CCC2C1(C)C)C)C)O)CO)(C)C)C |
| InChIKey | OPGQHWKKODQISN-ZWJGQMMPSA-N |
Product Overview
O-Palmityllongispinogenin (CAS 122249-95-0), with molecular formula C46H80O4 and molecular weight 696.61 g/mol. IUPAC: [(3S,6aR,6bS,8S,8aS,12aR,14aR,14bR)-8-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl] hexadecanoate.
Chemical Property Profile of O-Palmityllongispinogenin
Property Insights of O-Palmityllongispinogenin
The XLogP value of 14.9 indicates that O-Palmityllongispinogenin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for O-Palmityllongispinogenin. Following Lipinski's Rule of Five, O-Palmityllongispinogenin has 2 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 O-Palmityllongispinogenin?
The CAS number of O-Palmityllongispinogenin is 122249-95-0.
What is the molecular formula of O-Palmityllongispinogenin?
The molecular formula of O-Palmityllongispinogenin is C46H80O4.
What is the molecular weight of O-Palmityllongispinogenin?
The molecular weight of O-Palmityllongispinogenin is 696.61 g/mol.
Where can I buy O-Palmityllongispinogenin?
You can request a quote for O-Palmityllongispinogenin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-Palmityllongispinogenin?
Yes, KEHONG BIO provides custom synthesis services for O-Palmityllongispinogenin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.