冈田酸四甲酯
TL;DR: 冈田酸四甲酯 (CAS 120693-42-7) is a chemical compound with molecular formula C48H76O13 and molecular weight 860.53 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
冈田酸四甲酯
2-methoxy-3-[11-methoxy-2-[4-[4-methoxy-2-[1-methoxy-3-(3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl)butyl]-3-methylidenespiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5'-oxolane]-2'-yl]but-3-en-2-yl]-4-methyl-1,7-dioxaspiro[5.5]undec-4-en-8-yl]-2-methylpropanoic acid
Also Known As: Okadaic acid tetramethyl ether, 2-methoxy-3-[7-methoxy-4-[4-[4-methoxy-2-[1-methoxy-3-(9-methyl-5,11-dioxaspiro[5.5]undecan-10-yl)butyl]-3-methylidenespiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5'-oxolane]-2'-yl]but-3-en-2-yl]-2-methyl-5,11-dioxaspiro[5.5]undec-1-en-10-yl]-2-methylpropanoic acid
| Molecular Formula | C48H76O13 |
|---|---|
| Molecular Weight | 860.53 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 139.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 14 |
| Exact Mass | 860.52856 |
| Heavy Atoms | 61 |
| Complexity | 1590.0 |
Chemical Identifiers
| CAS Number | 120693-42-7 |
|---|---|
| SMILES | CC1CCC2(CCCCO2)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)OC)OC)C)OC)OC |
| InChIKey | BLXGHOVFYZQLJM-UHFFFAOYSA-N |
Product Overview
冈田酸四甲酯 (CAS 120693-42-7), with molecular formula C48H76O13 and molecular weight 860.53 g/mol. IUPAC: 2-methoxy-3-[11-methoxy-2-[4-[4-methoxy-2-[1-methoxy-3-(3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl)butyl]-3-methylidenespiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5'-oxolane]-2'-yl]but-3-en-2-yl]-4-methyl-1,7-dioxaspiro[5.5]undec-4-en-8-yl]-2-methylpropanoic acid.
Chemical Property Profile of 冈田酸四甲酯
Property Insights of 冈田酸四甲酯
The XLogP value of 5.6 indicates that 冈田酸四甲酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 139.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 冈田酸四甲酯. Following Lipinski's Rule of Five, 冈田酸四甲酯 has 1 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 冈田酸四甲酯?
The CAS number of 冈田酸四甲酯 is 120693-42-7.
What is the molecular formula of 冈田酸四甲酯?
The molecular formula of 冈田酸四甲酯 is C48H76O13.
What is the molecular weight of 冈田酸四甲酯?
The molecular weight of 冈田酸四甲酯 is 860.53 g/mol.
Where can I buy 冈田酸四甲酯?
You can request a quote for 冈田酸四甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 冈田酸四甲酯?
Yes, KEHONG BIO provides custom synthesis services for 冈田酸四甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.