3-Hydroxyolean-12-en-28-oic acid
TL;DR: 3-Hydroxyolean-12-en-28-oic acid (CAS 946530-77-4) 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.
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, Caryophyllin, oleanoic acid, Oleanic acid, 3-Epioleanolic acid
| 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 |
Chemical Identifiers
| CAS Number | 946530-77-4 |
|---|---|
| SMILES | CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C(=O)O)C |
| InChIKey | MIJYXULNPSFWEK-UHFFFAOYSA-N |
Product Overview
3-Hydroxyolean-12-en-28-oic acid (CAS 946530-77-4), with molecular formula C30H48O3 and molecular weight 456.36 g/mol. IUPAC: 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 3-Hydroxyolean-12-en-28-oic acid
Property Insights of 3-Hydroxyolean-12-en-28-oic acid
The XLogP value of 7.5 indicates that 3-Hydroxyolean-12-en-28-oic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, 3-Hydroxyolean-12-en-28-oic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hydroxyolean-12-en-28-oic acid 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 3-Hydroxyolean-12-en-28-oic acid?
The CAS number of 3-Hydroxyolean-12-en-28-oic acid is 946530-77-4.
What is the molecular formula of 3-Hydroxyolean-12-en-28-oic acid?
The molecular formula of 3-Hydroxyolean-12-en-28-oic acid is C30H48O3.
What is the molecular weight of 3-Hydroxyolean-12-en-28-oic acid?
The molecular weight of 3-Hydroxyolean-12-en-28-oic acid is 456.36 g/mol.
Where can I buy 3-Hydroxyolean-12-en-28-oic acid?
You can request a quote for 3-Hydroxyolean-12-en-28-oic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxyolean-12-en-28-oic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxyolean-12-en-28-oic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.