2alpha,3alpha,19 alpha-Trihydroxyurs-12-en-28-oic acid
TL;DR: 2alpha,3alpha,19 alpha-Trihydroxyurs-12-en-28-oic acid (CAS 53155-25-2) is a chemical compound with molecular formula C30H48O5 and molecular weight 488.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2R,4aS,6aR,6aS,6bR,10S,11R,12aR,14bR)-1,10,11-trihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Also Known As: Jacarandic acid, Euscaphic acid, Tormentic acid, KST-1A5602, 2alpha,3alpha,19 alpha-Trihydroxyurs-12-en-28-oic acid
| Molecular Formula | C30H48O5 |
|---|---|
| Molecular Weight | 488.35 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 98.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 488.3502 |
| Heavy Atoms | 35 |
| Complexity | 956.0 |
Chemical Identifiers
| CAS Number | 53155-25-2 |
|---|---|
| SMILES | C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CCC5[C@@]4(C[C@H]([C@H](C5(C)C)O)O)C)C)[C@H]2[C@]1(C)O)C)C(=O)O |
| InChIKey | OXVUXGFZHDKYLS-SPQMEPECSA-N |
Product Overview
2alpha,3alpha,19 alpha-Trihydroxyurs-12-en-28-oic acid (CAS 53155-25-2), with molecular formula C30H48O5 and molecular weight 488.35 g/mol. IUPAC: (1R,2R,4aS,6aR,6aS,6bR,10S,11R,12aR,14bR)-1,10,11-trihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid.
Chemical Property Profile of 2alpha,3alpha,19 alpha-Trihydroxyurs-12-en-28-oic acid
Property Insights of 2alpha,3alpha,19 alpha-Trihydroxyurs-12-en-28-oic acid
The XLogP value of 5.0 indicates that 2alpha,3alpha,19 alpha-Trihydroxyurs-12-en-28-oic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2alpha,3alpha,19 alpha-Trihydroxyurs-12-en-28-oic acid. Following Lipinski's Rule of Five, 2alpha,3alpha,19 alpha-Trihydroxyurs-12-en-28-oic acid has 4 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2alpha,3alpha,19 alpha-Trihydroxyurs-12-en-28-oic acid?
The CAS number of 2alpha,3alpha,19 alpha-Trihydroxyurs-12-en-28-oic acid is 53155-25-2.
What is the molecular formula of 2alpha,3alpha,19 alpha-Trihydroxyurs-12-en-28-oic acid?
The molecular formula of 2alpha,3alpha,19 alpha-Trihydroxyurs-12-en-28-oic acid is C30H48O5.
What is the molecular weight of 2alpha,3alpha,19 alpha-Trihydroxyurs-12-en-28-oic acid?
The molecular weight of 2alpha,3alpha,19 alpha-Trihydroxyurs-12-en-28-oic acid is 488.35 g/mol.
Where can I buy 2alpha,3alpha,19 alpha-Trihydroxyurs-12-en-28-oic acid?
You can request a quote for 2alpha,3alpha,19 alpha-Trihydroxyurs-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 2alpha,3alpha,19 alpha-Trihydroxyurs-12-en-28-oic acid?
Yes, KEHONG BIO provides custom synthesis services for 2alpha,3alpha,19 alpha-Trihydroxyurs-12-en-28-oic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.