8-O-Linoleoyl-14-anisoylaconine
TL;DR: 8-O-Linoleoyl-14-anisoylaconine (CAS 134267-49-5) is a chemical compound with molecular formula C51H77NO12 and molecular weight 895.54 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[11-ethyl-5,7,14-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-8-[(9E,12E)-octadeca-9,12-dienoyl]oxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] 4-methoxybenzoate
Also Known As: 8-O-Linoleoyl-14-anisoylaconine, Aconitane-3,8,13,14,15-pentol, 20-ethyl-4-(methoxymethyl)-1,6,16-trimethoxy-, 14-(4-methoxybenzoate-8-(9,12-octadecadienoate), (1-alpha,3-alpha,6-alpha,8(9Z,12Z),14-alpha,15-alpha,16-beta)-, Aconitane-3,8,13,14,15-pentol, 20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)-, 14-(4-methoxybenzoate) 8-(9,12-octadecadienaote), (1alpha,3alpha,6alpha,8(9Z,12Z),14alpha,15alpha,16beta)-, RefChem:1074764, BRN 4778654
| Molecular Formula | C51H77NO12 |
|---|---|
| Molecular Weight | 895.54 g/mol |
| LogP | 6.4503 |
| Topological Polar Surface Area | 162.68 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 24 |
| Exact Mass | 895.54456 |
| Heavy Atoms | 64 |
| Complexity | 1790.0962 |
Chemical Identifiers
| CAS Number | 134267-49-5 |
|---|---|
| SMILES | CCCCC/C=C/C/C=C/CCCCCCCC(=O)OC12C3C(CC(C3OC(=O)C4=CC=C(C=C4)OC)(C(C1O)OC)O)C56C(CC(C7(C5C(C2C6N(C7)CC)OC)COC)O)OC |
Product Overview
8-O-Linoleoyl-14-anisoylaconine (CAS 134267-49-5), with molecular formula C51H77NO12 and molecular weight 895.54 g/mol. IUPAC: [11-ethyl-5,7,14-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-8-[(9E,12E)-octadeca-9,12-dienoyl]oxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] 4-methoxybenzoate.
Chemical Property Profile of 8-O-Linoleoyl-14-anisoylaconine
Property Insights of 8-O-Linoleoyl-14-anisoylaconine
The XLogP value of 6.4503 indicates that 8-O-Linoleoyl-14-anisoylaconine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 162.68 Ų indicates high polarity, suggesting 8-O-Linoleoyl-14-anisoylaconine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 8-O-Linoleoyl-14-anisoylaconine has 3 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 8-O-Linoleoyl-14-anisoylaconine?
The CAS number of 8-O-Linoleoyl-14-anisoylaconine is 134267-49-5.
What is the molecular formula of 8-O-Linoleoyl-14-anisoylaconine?
The molecular formula of 8-O-Linoleoyl-14-anisoylaconine is C51H77NO12.
What is the molecular weight of 8-O-Linoleoyl-14-anisoylaconine?
The molecular weight of 8-O-Linoleoyl-14-anisoylaconine is 895.54 g/mol.
Where can I buy 8-O-Linoleoyl-14-anisoylaconine?
You can request a quote for 8-O-Linoleoyl-14-anisoylaconine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-O-Linoleoyl-14-anisoylaconine?
Yes, KEHONG BIO provides custom synthesis services for 8-O-Linoleoyl-14-anisoylaconine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.