鳍藻毒素-1
TL;DR: 鳍藻毒素-1 (CAS 81720-10-7) is a chemical compound with molecular formula C45H70O13 and molecular weight 818.48 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
鳍藻毒素-1
3-[2-[4-[2-[3-(3,11-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl)-1-hydroxybutyl]-4-hydroxy-3-methylidenespiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5'-oxolane]-2'-yl]but-3-en-2-yl]-11-hydroxy-4-methyl-1,7-dioxaspiro[5.5]undec-4-en-8-yl]-2-hydroxy-2-methylpropanoic acid
Also Known As: Dinophysistoxin 1, 81720-10-7 for acid form, 3-[2-[(E)-4-[2-[3-(3,11-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl)-1-hydroxybutyl]-4-hydroxy-3-methylidenespiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5'-oxolane]-2'-yl]but-3-en-2-yl]-11-hydroxy-4-methyl-1,7-dioxaspiro[5.5]undec-4-en-8-yl]-2-hydroxy-2-methylpropanoic acid, 3-[2-[3-[2-[3-(3,11-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl)-1-hydroxy-butyl]-4-hydroxy-3-methylene-spiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5'-tetrahydrofuran]-2'-yl]-1-methyl-allyl]-11-hydroxy-4-methyl-1,7-dioxaspiro[5.5]undec-4-en-8-yl]-2-hydroxy-2-methyl-propanoic acid
| Molecular Formula | C45H70O13 |
|---|---|
| Molecular Weight | 818.48 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 183.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 10 |
| Exact Mass | 818.4816 |
| Heavy Atoms | 58 |
| Complexity | 1550.0 |
Chemical Identifiers
| CAS Number | 81720-10-7 |
|---|---|
| SMILES | CC1CCC2(C(CCCO2)C)OC1C(C)CC(C3C(=C)C(C4C(O3)CCC5(O4)CCC(O5)C=CC(C)C6CC(=CC7(O6)C(CCC(O7)CC(C)(C(=O)O)O)O)C)O)O |
| InChIKey | CLBIEZBAENPDFY-UHFFFAOYSA-N |
Product Overview
鳍藻毒素-1 (CAS 81720-10-7), with molecular formula C45H70O13 and molecular weight 818.48 g/mol. IUPAC: 3-[2-[4-[2-[3-(3,11-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl)-1-hydroxybutyl]-4-hydroxy-3-methylidenespiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5'-oxolane]-2'-yl]but-3-en-2-yl]-11-hydroxy-4-methyl-1,7-dioxaspiro[5.5]undec-4-en-8-yl]-2-hydroxy-2-methylpropanoic acid.
Chemical Property Profile of 鳍藻毒素-1
Property Insights of 鳍藻毒素-1
The XLogP value of 3.8 indicates that 鳍藻毒素-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 183.0 Ų indicates high polarity, suggesting 鳍藻毒素-1 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 鳍藻毒素-1 has 5 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 鳍藻毒素-1?
The CAS number of 鳍藻毒素-1 is 81720-10-7.
What is the molecular formula of 鳍藻毒素-1?
The molecular formula of 鳍藻毒素-1 is C45H70O13.
What is the molecular weight of 鳍藻毒素-1?
The molecular weight of 鳍藻毒素-1 is 818.48 g/mol.
Where can I buy 鳍藻毒素-1?
You can request a quote for 鳍藻毒素-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 鳍藻毒素-1?
Yes, KEHONG BIO provides custom synthesis services for 鳍藻毒素-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.