Brevetoxin B, 43-chloro-41-deformyl-41,43-dihydro-41-oxo-
TL;DR: Brevetoxin B, 43-chloro-41-deformyl-41,43-dihydro-41-oxo- (CAS 82983-92-4) is a chemical compound with molecular formula C49H69ClO14 and molecular weight 916.44 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(21Z)-14-(3-chloro-2-oxopropyl)-12-hydroxy-1,3,11,24,31,41,44-heptamethyl-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-39-one
Also Known As: Brevetoxin C, RMI 12330A, Brevetoxin B, 43-chloro-41-deformyl-41,43-dihydro-41-oxo-, (21Z)-14-(3-chloro-2-oxopropyl)-12-hydroxy-1,3,11,24,31,41,44-heptamethyl-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-39-one
| Molecular Formula | C49H69ClO14 |
|---|---|
| Molecular Weight | 916.44 g/mol |
| LogP | 5.5249 |
| Topological Polar Surface Area | 155.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 3 |
| Exact Mass | 916.43756 |
| Heavy Atoms | 64 |
| Complexity | 1914.2814 |
Chemical Identifiers
| CAS Number | 82983-92-4 |
|---|---|
| SMILES | CC1CC2C(CC3(C(O2)CC4C(O3)C(=CC(=O)O4)C)C)OC5C1OC6CC7C(CC8C(O7)(C/C=C\C9C(O8)CC1C(O9)CC2C(O1)(C(CC(O2)CC(=O)CCl)O)C)C)(OC6(CC5)C)C |
Product Overview
Brevetoxin B, 43-chloro-41-deformyl-41,43-dihydro-41-oxo- (CAS 82983-92-4), with molecular formula C49H69ClO14 and molecular weight 916.44 g/mol. IUPAC: (21Z)-14-(3-chloro-2-oxopropyl)-12-hydroxy-1,3,11,24,31,41,44-heptamethyl-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-39-one.
Chemical Property Profile of Brevetoxin B, 43-chloro-41-deformyl-41,43-dihydro-41-oxo-
Property Insights of Brevetoxin B, 43-chloro-41-deformyl-41,43-dihydro-41-oxo-
The XLogP value of 5.5249 indicates that Brevetoxin B, 43-chloro-41-deformyl-41,43-dihydro-41-oxo- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 155.9 Ų indicates high polarity, suggesting Brevetoxin B, 43-chloro-41-deformyl-41,43-dihydro-41-oxo- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Brevetoxin B, 43-chloro-41-deformyl-41,43-dihydro-41-oxo- 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, 43-chloro-41-deformyl-41,43-dihydro-41-oxo-?
The CAS number of Brevetoxin B, 43-chloro-41-deformyl-41,43-dihydro-41-oxo- is 82983-92-4.
What is the molecular formula of Brevetoxin B, 43-chloro-41-deformyl-41,43-dihydro-41-oxo-?
The molecular formula of Brevetoxin B, 43-chloro-41-deformyl-41,43-dihydro-41-oxo- is C49H69ClO14.
What is the molecular weight of Brevetoxin B, 43-chloro-41-deformyl-41,43-dihydro-41-oxo-?
The molecular weight of Brevetoxin B, 43-chloro-41-deformyl-41,43-dihydro-41-oxo- is 916.44 g/mol.
Where can I buy Brevetoxin B, 43-chloro-41-deformyl-41,43-dihydro-41-oxo-?
You can request a quote for Brevetoxin B, 43-chloro-41-deformyl-41,43-dihydro-41-oxo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Brevetoxin B, 43-chloro-41-deformyl-41,43-dihydro-41-oxo-?
Yes, KEHONG BIO provides custom synthesis services for Brevetoxin B, 43-chloro-41-deformyl-41,43-dihydro-41-oxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.