Brisbagenin
TL;DR: Brisbagenin (CAS 20485-43-2) 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.
(1S,2S,4S,5'R,7S,8R,9S,12S,13S,14R,16R,18S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-14,16-diol
Also Known As: Brisbagenin, Spirostan-1,3-diol, KST-1A2564, (25R)-5, A-spirostane-1
| Molecular Formula | C27H44O4 |
|---|---|
| Molecular Weight | 432.32 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 58.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 432.32397 |
| Heavy Atoms | 31 |
| Complexity | 726.0 |
Chemical Identifiers
| CAS Number | 20485-43-2 |
|---|---|
| SMILES | C[C@@H]1CCC2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC[C@@H]6[C@@]5([C@@H](C[C@@H](C6)O)O)C)C)C)OC1 |
| InChIKey | NCLLSOCDVMFDSK-CNJRTTOXSA-N |
Product Overview
Brisbagenin (CAS 20485-43-2), with molecular formula C27H44O4 and molecular weight 432.32 g/mol. IUPAC: (1S,2S,4S,5'R,7S,8R,9S,12S,13S,14R,16R,18S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-14,16-diol.
Chemical Property Profile of Brisbagenin
Property Insights of Brisbagenin
The XLogP value of 5.5 indicates that Brisbagenin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.9 Ų, Brisbagenin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Brisbagenin 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 Brisbagenin?
The CAS number of Brisbagenin is 20485-43-2.
What is the molecular formula of Brisbagenin?
The molecular formula of Brisbagenin is C27H44O4.
What is the molecular weight of Brisbagenin?
The molecular weight of Brisbagenin is 432.32 g/mol.
Where can I buy Brisbagenin?
You can request a quote for Brisbagenin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Brisbagenin?
Yes, KEHONG BIO provides custom synthesis services for Brisbagenin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.