短裸甲藻毒素3
TL;DR: 短裸甲藻毒素3 (CAS 85079-48-7) is a chemical compound with molecular formula C50H72O14 and molecular weight 896.49 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
短裸甲藻毒素3
12-hydroxy-14-[2-(hydroxymethyl)prop-2-enyl]-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 3, brevetoxin pbtx-3
| Molecular Formula | C50H72O14 |
|---|---|
| Molecular Weight | 896.49 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 159.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 3 |
| Exact Mass | 896.4922 |
| Heavy Atoms | 64 |
| Complexity | 1910.0 |
Chemical Identifiers
| CAS Number | 85079-48-7 |
|---|---|
| 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)CO)O)C)C)(OC6(CC5)C)C |
| InChIKey | BKMHDYJRAAJTAD-UHFFFAOYSA-N |
Product Overview
短裸甲藻毒素3 (CAS 85079-48-7), with molecular formula C50H72O14 and molecular weight 896.49 g/mol. IUPAC: 12-hydroxy-14-[2-(hydroxymethyl)prop-2-enyl]-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 短裸甲藻毒素3
Property Insights of 短裸甲藻毒素3
The XLogP value of 3.8 indicates that 短裸甲藻毒素3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 159.0 Ų indicates high polarity, suggesting 短裸甲藻毒素3 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 短裸甲藻毒素3 has 2 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 短裸甲藻毒素3?
The CAS number of 短裸甲藻毒素3 is 85079-48-7.
What is the molecular formula of 短裸甲藻毒素3?
The molecular formula of 短裸甲藻毒素3 is C50H72O14.
What is the molecular weight of 短裸甲藻毒素3?
The molecular weight of 短裸甲藻毒素3 is 896.49 g/mol.
Where can I buy 短裸甲藻毒素3?
You can request a quote for 短裸甲藻毒素3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 短裸甲藻毒素3?
Yes, KEHONG BIO provides custom synthesis services for 短裸甲藻毒素3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.