Roxburic acid
TL;DR: Roxburic acid (CAS 108657-25-6) is a chemical compound with molecular formula C30H48O6 and molecular weight 504.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2R,4aS,6aR,6aR,6bR,7S,10S,11R,12aS,14bR)-1,7,10,11-tetrahydroxy-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: Roxburic acid, 2,3,7,19-Tetrahydroxyurs-12-en-28-oic acid, (1R,2R,4aS,6aR,6aR,6bR,7S,10S,11R,12aS,14bR)-1,7,10,11-tetrahydroxy-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, Urs-12-en-28-oic acid, 2,3,7,19-tetrahydroxy-, (2beta,3alpha,7beta)-, (5xi)-2alpha,3alpha,7beta,19-Tetrahydroxy-18alpha-urs-12-en-28-oic acid
| Molecular Formula | C30H48O6 |
|---|---|
| Molecular Weight | 504.35 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 504.3451 |
| Heavy Atoms | 36 |
| Complexity | 990.0 |
Chemical Identifiers
| CAS Number | 108657-25-6 |
|---|---|
| SMILES | C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3([C@H](CC5[C@@]4(C[C@H]([C@H](C5(C)C)O)O)C)O)C)[C@H]2[C@]1(C)O)C)C(=O)O |
| InChIKey | OTMKLLGULDKXFS-DSZNRGTLSA-N |
Product Overview
Roxburic acid (CAS 108657-25-6), with molecular formula C30H48O6 and molecular weight 504.35 g/mol. IUPAC: (1R,2R,4aS,6aR,6aR,6bR,7S,10S,11R,12aS,14bR)-1,7,10,11-tetrahydroxy-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 Roxburic acid
Property Insights of Roxburic acid
The XLogP value of 3.6 indicates that Roxburic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Roxburic acid. Following Lipinski's Rule of Five, Roxburic acid has 5 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 Roxburic acid?
The CAS number of Roxburic acid is 108657-25-6.
What is the molecular formula of Roxburic acid?
The molecular formula of Roxburic acid is C30H48O6.
What is the molecular weight of Roxburic acid?
The molecular weight of Roxburic acid is 504.35 g/mol.
Where can I buy Roxburic acid?
You can request a quote for Roxburic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Roxburic acid?
Yes, KEHONG BIO provides custom synthesis services for Roxburic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.