Brevetoxin B
TL;DR: Brevetoxin B (CAS 11032-79-4) is a chemical compound with molecular formula C50H70O14 and molecular weight 894.48 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(12-hydroxy-1,3,11,24,31,41,44-heptamethyl-39-oxo-2,6,10,15,19,25,29,34,38,43,47-undecaoxaundecacyclo[26.22.0.03,26.05,24.07,20.09,18.011,16.030,48.033,46.035,44.037,42]pentaconta-21,40-dien-14-yl)methyl]prop-2-enal
Also Known As: Brevetoxin B, alpha-Bungarotoxin, -Bungarotoxin, alpha-Bgt, beta-Bungarotoxin
| Molecular Formula | C50H70O14 |
|---|---|
| Molecular Weight | 894.48 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 156.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 3 |
| Exact Mass | 894.47656 |
| Heavy Atoms | 64 |
| Complexity | 1940.0 |
Chemical Identifiers
| CAS Number | 11032-79-4 |
|---|---|
| SMILES | CC1CC2C(CC3(C(O2)CC4C(O3)C(=CC(=O)O4)C)C)OC5C1OC6CC7C(CC8C(O7)(CC=CC9C(O8)CC1C(O9)CC2C(O1)(C(CC(O2)CC(=C)C=O)O)C)C)(OC6(CC5)C)C |
| InChIKey | LYTCVQQGCSNFJU-UHFFFAOYSA-N |
Product Overview
Brevetoxin B (CAS 11032-79-4), with molecular formula C50H70O14 and molecular weight 894.48 g/mol. IUPAC: 2-[(12-hydroxy-1,3,11,24,31,41,44-heptamethyl-39-oxo-2,6,10,15,19,25,29,34,38,43,47-undecaoxaundecacyclo[26.22.0.03,26.05,24.07,20.09,18.011,16.030,48.033,46.035,44.037,42]pentaconta-21,40-dien-14-yl)methyl]prop-2-enal.
Chemical Property Profile of Brevetoxin B
Property Insights of Brevetoxin B
The XLogP value of 3.7 indicates that Brevetoxin B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 156.0 Ų indicates high polarity, suggesting Brevetoxin B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Brevetoxin B has 1 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Brevetoxin B?
The CAS number of Brevetoxin B is 11032-79-4.
What is the molecular formula of Brevetoxin B?
The molecular formula of Brevetoxin B is C50H70O14.
What is the molecular weight of Brevetoxin B?
The molecular weight of Brevetoxin B is 894.48 g/mol.
Where can I buy Brevetoxin B?
You can request a quote for Brevetoxin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Brevetoxin B?
Yes, KEHONG BIO provides custom synthesis services for Brevetoxin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.