熊果酸
TL;DR: 熊果酸 (CAS 77-52-1) is a chemical compound with molecular formula C30H48O3 and molecular weight 456.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
熊果酸
(1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
Also Known As: Ursolic acid, Prunol, Malol, Urson, Micromerol
| Molecular Formula | C30H48O3 |
|---|---|
| Molecular Weight | 456.36 g/mol |
| LogP | 7.3 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 456.36035 |
| Heavy Atoms | 33 |
| Complexity | 874.0 |
| Melting Point | 284 °C |
| Solubility | One part dissolves in 88 parts methanol, 178 alcohol, (35 boiling alcohol), 140 ether, 388 chloroform, 1675 carbon disulfide. Moderately soluble in acetone. Soluble in hot glacial acetic acid and in 2% alcoholic NaOH. Insoluble in petroleum ether. |
Chemical Identifiers
| CAS Number | 77-52-1 |
|---|---|
| SMILES | C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)[C@@H]2[C@H]1C)C)C(=O)O |
| InChIKey | WCGUUGGRBIKTOS-GPOJBZKASA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
熊果酸 (CAS 77-52-1), with molecular formula C30H48O3 and molecular weight 456.36 g/mol. IUPAC: (1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid.
Chemical Property Profile of 熊果酸
Property Insights of 熊果酸
The XLogP value of 7.3 indicates that 熊果酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, 熊果酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 熊果酸 has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 熊果酸?
The CAS number of 熊果酸 is 77-52-1.
What is the molecular formula of 熊果酸?
The molecular formula of 熊果酸 is C30H48O3.
What is the molecular weight of 熊果酸?
The molecular weight of 熊果酸 is 456.36 g/mol.
Where can I buy 熊果酸?
You can request a quote for 熊果酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 熊果酸?
Yes, KEHONG BIO provides custom synthesis services for 熊果酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.