Barbourgenin
TL;DR: Barbourgenin (CAS 105815-87-0) is a chemical compound with molecular formula C27H44O4 and molecular weight 432.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2S,4S,5'S,6R,7S,8R,9S,12S,13S,16S,18S)-5'-(hydroxymethyl)-7,9,13-trimethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-ol
Also Known As: Barbourgenin, Spirostane-3,27-diol, Spirostan-3,27-diol, (25S)-5alpha-Spirostan-3beta,27-diol, (25S)-5alpha-Spirostane-3beta,27-diol
| Molecular Formula | C27H44O4 |
|---|---|
| Molecular Weight | 432.32 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 58.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 432.32397 |
| Heavy Atoms | 31 |
| Complexity | 711.0 |
Chemical Identifiers
| CAS Number | 105815-87-0 |
|---|---|
| SMILES | C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC[C@@H]5[C@@]4(CC[C@@H](C5)O)C)C)O[C@]16CC[C@H](CO6)CO |
| InChIKey | VMVODFKYINXZDT-PUHUBZITSA-N |
Product Overview
Barbourgenin (CAS 105815-87-0), with molecular formula C27H44O4 and molecular weight 432.32 g/mol. IUPAC: (1R,2S,4S,5'S,6R,7S,8R,9S,12S,13S,16S,18S)-5'-(hydroxymethyl)-7,9,13-trimethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-ol.
Chemical Property Profile of Barbourgenin
Property Insights of Barbourgenin
The XLogP value of 5.3 indicates that Barbourgenin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.9 Ų, Barbourgenin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Barbourgenin has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Barbourgenin?
The CAS number of Barbourgenin is 105815-87-0.
What is the molecular formula of Barbourgenin?
The molecular formula of Barbourgenin is C27H44O4.
What is the molecular weight of Barbourgenin?
The molecular weight of Barbourgenin is 432.32 g/mol.
Where can I buy Barbourgenin?
You can request a quote for Barbourgenin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Barbourgenin?
Yes, KEHONG BIO provides custom synthesis services for Barbourgenin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.