Succinyl ursolic acid
TL;DR: Succinyl ursolic acid (CAS 54717-85-0) is a chemical compound with molecular formula C34H52O6 and molecular weight 556.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-(3-carboxypropanoyloxy)-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: Succinyl ursolic acid, 3-O-Succinyl-ursolic acid, urs-12-en-28-oicacid,3-, -, Urs-12-en-28-oicacid,3- -, -, A-O-Succinoylursan-12-en-28-carbonsaeure
| Molecular Formula | C34H52O6 |
|---|---|
| Molecular Weight | 556.38 g/mol |
| LogP | 7.3 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 556.3764 |
| Heavy Atoms | 40 |
| Complexity | 1110.0 |
Chemical Identifiers
| CAS Number | 54717-85-0 |
|---|---|
| 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)OC(=O)CCC(=O)O)C)C)[C@@H]2[C@H]1C)C)C(=O)O |
| InChIKey | CLXXRDCPKAFZFM-NLNDANQGSA-N |
Product Overview
Succinyl ursolic acid (CAS 54717-85-0), with molecular formula C34H52O6 and molecular weight 556.38 g/mol. IUPAC: (1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-(3-carboxypropanoyloxy)-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 Succinyl ursolic acid
Property Insights of Succinyl ursolic acid
The XLogP value of 7.3 indicates that Succinyl ursolic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Succinyl ursolic acid. Following Lipinski's Rule of Five, Succinyl ursolic acid has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Succinyl ursolic acid?
The CAS number of Succinyl ursolic acid is 54717-85-0.
What is the molecular formula of Succinyl ursolic acid?
The molecular formula of Succinyl ursolic acid is C34H52O6.
What is the molecular weight of Succinyl ursolic acid?
The molecular weight of Succinyl ursolic acid is 556.38 g/mol.
Where can I buy Succinyl ursolic acid?
You can request a quote for Succinyl ursolic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Succinyl ursolic acid?
Yes, KEHONG BIO provides custom synthesis services for Succinyl ursolic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.