Barrigenol A1
TL;DR: Barrigenol A1 (CAS 15448-03-0) 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.
(3S,6aR,6bS,7R,8S,8aS,9S,12aR,14aR,14bR)-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,7,8,9-tetrol
Also Known As: Barrigenol A1, A1-Barrigenol, Proschiwalligenin PA3, Olean-12-ene-3,15,16,22,28-pentol, (3S,6aR,6bS,7R,8S,8aS,9S,12aR,14aR,14bR)-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,7,8,9-tetrol
| Molecular Formula | C30H50O5 |
|---|---|
| Molecular Weight | 490.37 g/mol |
| LogP | 4.8 |
| 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 | 15448-03-0 |
|---|---|
| SMILES | C[C@]12CC[C@@H](C(C1CC[C@@]3([C@@H]2CC=C4[C@]3([C@H]([C@H]([C@@]5([C@@H]4CC(C[C@@H]5O)(C)C)CO)O)O)C)C)(C)C)O |
| InChIKey | MBKUYULYIBPFSF-RIQJFFIGSA-N |
Product Overview
Barrigenol A1 (CAS 15448-03-0), with molecular formula C30H50O5 and molecular weight 490.37 g/mol. IUPAC: (3S,6aR,6bS,7R,8S,8aS,9S,12aR,14aR,14bR)-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,7,8,9-tetrol.
Chemical Property Profile of Barrigenol A1
Property Insights of Barrigenol A1
The XLogP value of 4.8 indicates that Barrigenol A1 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 Barrigenol A1. Following Lipinski's Rule of Five, Barrigenol A1 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 Barrigenol A1?
The CAS number of Barrigenol A1 is 15448-03-0.
What is the molecular formula of Barrigenol A1?
The molecular formula of Barrigenol A1 is C30H50O5.
What is the molecular weight of Barrigenol A1?
The molecular weight of Barrigenol A1 is 490.37 g/mol.
Where can I buy Barrigenol A1?
You can request a quote for Barrigenol A1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Barrigenol A1?
Yes, KEHONG BIO provides custom synthesis services for Barrigenol A1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.