Barringtogenol C
TL;DR: Barringtogenol C (CAS 13844-01-4) is a chemical compound with molecular formula C30H50O5 and molecular weight 490.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4a-(hydroxymethyl)-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-3,4,5,10-tetrol
Also Known As: Barringtogenol C, Escinidin, Jegosapogenol, Jegosapogenol A, Saniculagenin D
| Molecular Formula | C30H50O5 |
|---|---|
| Molecular Weight | 490.37 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 490.3658 |
| Heavy Atoms | 35 |
| Complexity | 910.0 |
Chemical Identifiers
| CAS Number | 13844-01-4 |
|---|---|
| SMILES | CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CC(C2(C(C1O)O)CO)O)C)C)(C)C)O)C)C |
| InChIKey | AYDKOFQQBHRXEW-UHFFFAOYSA-N |
Product Overview
Barringtogenol C (CAS 13844-01-4), with molecular formula C30H50O5 and molecular weight 490.37 g/mol. IUPAC: 4a-(hydroxymethyl)-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-3,4,5,10-tetrol.
Chemical Property Profile of Barringtogenol C
Property Insights of Barringtogenol C
The XLogP value of 4.6 indicates that Barringtogenol C 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 Barringtogenol C. Following Lipinski's Rule of Five, Barringtogenol C has 5 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 Barringtogenol C?
The CAS number of Barringtogenol C is 13844-01-4.
What is the molecular formula of Barringtogenol C?
The molecular formula of Barringtogenol C is C30H50O5.
What is the molecular weight of Barringtogenol C?
The molecular weight of Barringtogenol C is 490.37 g/mol.
Where can I buy Barringtogenol C?
You can request a quote for Barringtogenol C directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Barringtogenol C?
Yes, KEHONG BIO provides custom synthesis services for Barringtogenol C and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.