Ursonic acid methyl ester
TL;DR: Ursonic acid methyl ester (CAS 989-72-0) is a chemical compound with molecular formula C31H48O3 and molecular weight 468.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1,2,6a,6b,9,9,12a-heptamethyl-10-oxo-1,2,3,4,5,6,6a,7,8,8a,11,12,13,14b-tetradecahydropicene-4a-carboxylate
Also Known As: Ursonic acid methyl ester, Methyl 3-oxours-12-en-28-oate, Methyl 3-oxours-12-en-28-oate #, 1,2,6a,6b,9,9,12a-Heptamethyl-10-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-eicoshydropicene-4a-carboxylic acid, methyl ester, methyl 1,2,6a,6b,9,9,12a-heptamethyl-10-oxo-1,2,3,4,5,6,6a,7,8,8a,11,12,13,14b-tetradecahydropicene-4a-carboxylate
| Molecular Formula | C31H48O3 |
|---|---|
| Molecular Weight | 468.36 g/mol |
| LogP | 7.4 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 468.36035 |
| Heavy Atoms | 34 |
| Complexity | 931.0 |
Chemical Identifiers
| CAS Number | 989-72-0 |
|---|---|
| SMILES | CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(=O)C5(C)C)C)C)C2C1C)C)C(=O)OC |
| InChIKey | OGCQKMJALQHROV-UHFFFAOYSA-N |
Product Overview
Ursonic acid methyl ester (CAS 989-72-0), with molecular formula C31H48O3 and molecular weight 468.36 g/mol. IUPAC: methyl 1,2,6a,6b,9,9,12a-heptamethyl-10-oxo-1,2,3,4,5,6,6a,7,8,8a,11,12,13,14b-tetradecahydropicene-4a-carboxylate.
Chemical Property Profile of Ursonic acid methyl ester
Property Insights of Ursonic acid methyl ester
The XLogP value of 7.4 indicates that Ursonic acid methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, Ursonic acid methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ursonic acid methyl ester has 0 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 Ursonic acid methyl ester?
The CAS number of Ursonic acid methyl ester is 989-72-0.
What is the molecular formula of Ursonic acid methyl ester?
The molecular formula of Ursonic acid methyl ester is C31H48O3.
What is the molecular weight of Ursonic acid methyl ester?
The molecular weight of Ursonic acid methyl ester is 468.36 g/mol.
Where can I buy Ursonic acid methyl ester?
You can request a quote for Ursonic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ursonic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Ursonic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.