齐墩果醇酸
TL;DR: 齐墩果醇酸 (CAS 508-02-1) 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.
齐墩果醇酸
(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-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: OLEANOLIC ACID, Oleanic acid, Caryophyllin, Astrantiagenin C, Giganteumgenin C
| Molecular Formula | C30H48O3 |
|---|---|
| Molecular Weight | 456.36 g/mol |
| LogP | 7.5 |
| 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 | 885.0 |
| Melting Point | 310 °C |
Chemical Identifiers
| CAS Number | 508-02-1 |
|---|---|
| SMILES | C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)C)(C)C)O |
| InChIKey | MIJYXULNPSFWEK-GTOFXWBISA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
齐墩果醇酸 (CAS 508-02-1), with molecular formula C30H48O3 and molecular weight 456.36 g/mol. IUPAC: (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-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 齐墩果醇酸
Property Insights of 齐墩果醇酸
The XLogP value of 7.5 indicates that 齐墩果醇酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, 齐墩果醇酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 齐墩果醇酸 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 齐墩果醇酸?
The CAS number of 齐墩果醇酸 is 508-02-1.
What is the molecular formula of 齐墩果醇酸?
The molecular formula of 齐墩果醇酸 is C30H48O3.
What is the molecular weight of 齐墩果醇酸?
The molecular weight of 齐墩果醇酸 is 456.36 g/mol.
Where can I buy 齐墩果醇酸?
You can request a quote for 齐墩果醇酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 齐墩果醇酸?
Yes, KEHONG BIO provides custom synthesis services for 齐墩果醇酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.