Bryotoxin B
TL;DR: Bryotoxin B (CAS 105608-31-9) is a chemical compound with molecular formula C26H32O9 and molecular weight 488.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,4R,5S,8R,9R,12S,13R,14R,16R,18S)-5,11-dihydroxy-13-(hydroxymethyl)-9,16-dimethyl-8-(6-oxopyran-3-yl)-15,17,20-trioxahexacyclo[14.3.1.114,18.01,13.04,12.05,9]henicosan-10-one
Also Known As: Bryotoxin B, (1S,4R,5S,8R,9R,12S,13R,14R,16R,18S)-5,11-dihydroxy-13-(hydroxymethyl)-9,16-dimethyl-8-(6-oxopyran-3-yl)-15,17,20-trioxahexacyclo[14.3.1.114,18.01,13.04,12.05,9]henicosan-10-one, Bufa-20,22-dienolide, 1,3,5-(ethylidynetris(oxy))-11,14,19-trihydroxy-12-oxo-, (1beta(R),3beta,5beta,11alpha)-, RefChem:121781
| Molecular Formula | C26H32O9 |
|---|---|
| Molecular Weight | 488.20 g/mol |
| LogP | 1.2236 |
| Topological Polar Surface Area | 135.66 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 2 |
| Exact Mass | 488.20462 |
| Heavy Atoms | 35 |
| Complexity | 1145.2266 |
Chemical Identifiers
| CAS Number | 105608-31-9 |
|---|---|
| SMILES | C[C@@]12[C@H](CC[C@@]1([C@@H]3CC[C@]45C[C@@H]6C[C@H]([C@@]4([C@H]3C(C2=O)O)CO)O[C@@](O6)(O5)C)O)C7=COC(=O)C=C7 |
Product Overview
Bryotoxin B (CAS 105608-31-9), with molecular formula C26H32O9 and molecular weight 488.20 g/mol. IUPAC: (1S,4R,5S,8R,9R,12S,13R,14R,16R,18S)-5,11-dihydroxy-13-(hydroxymethyl)-9,16-dimethyl-8-(6-oxopyran-3-yl)-15,17,20-trioxahexacyclo[14.3.1.114,18.01,13.04,12.05,9]henicosan-10-one.
Chemical Property Profile of Bryotoxin B
Property Insights of Bryotoxin B
The XLogP value of 1.2236 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bryotoxin B. The TPSA of 135.66 Ų falls within the moderate polarity range, balancing permeability and solubility for Bryotoxin B. Following Lipinski's Rule of Five, Bryotoxin B has 3 hydrogen bond donor(s) and 9 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 Bryotoxin B?
The CAS number of Bryotoxin B is 105608-31-9.
What is the molecular formula of Bryotoxin B?
The molecular formula of Bryotoxin B is C26H32O9.
What is the molecular weight of Bryotoxin B?
The molecular weight of Bryotoxin B is 488.20 g/mol.
Where can I buy Bryotoxin B?
You can request a quote for Bryotoxin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bryotoxin B?
Yes, KEHONG BIO provides custom synthesis services for Bryotoxin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.