山楂酸
TL;DR: 山楂酸 (CAS 4373-41-5) is a chemical compound with molecular formula C30H48O4 and molecular weight 472.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
山楂酸
(4aS,6aR,6aS,6bR,8aR,10R,11R,12aR,14bS)-10,11-dihydroxy-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: Maslinic acid, Crategolic acid, Crataegolic acid, Maslic acid, bredemolic acid
| Molecular Formula | C30H48O4 |
|---|---|
| Molecular Weight | 472.36 g/mol |
| LogP | 6.5 |
| Topological Polar Surface Area | 77.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 472.35526 |
| Heavy Atoms | 34 |
| Complexity | 919.0 |
| Melting Point | 249 - 250 °C |
| Density | 1.15 g/cu cm |
| Solubility | Solubility of 0.3 mg/mL in a 1:2 solution of Ethanol:Buffered Water (pH 7.2) at 25 °C |
Chemical Identifiers
| CAS Number | 4373-41-5 |
|---|---|
| SMILES | C[C@@]12CC[C@@H]3[C@@]([C@H]1CC=C4[C@]2(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)(C[C@H]([C@@H](C3(C)C)O)O)C |
| InChIKey | MDZKJHQSJHYOHJ-LLICELPBSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
山楂酸 (CAS 4373-41-5), with molecular formula C30H48O4 and molecular weight 472.36 g/mol. IUPAC: (4aS,6aR,6aS,6bR,8aR,10R,11R,12aR,14bS)-10,11-dihydroxy-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 山楂酸
Property Insights of 山楂酸
The XLogP value of 6.5 indicates that 山楂酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 山楂酸. Following Lipinski's Rule of Five, 山楂酸 has 3 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 山楂酸?
The CAS number of 山楂酸 is 4373-41-5.
What is the molecular formula of 山楂酸?
The molecular formula of 山楂酸 is C30H48O4.
What is the molecular weight of 山楂酸?
The molecular weight of 山楂酸 is 472.36 g/mol.
Where can I buy 山楂酸?
You can request a quote for 山楂酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 山楂酸?
Yes, KEHONG BIO provides custom synthesis services for 山楂酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.