Aconitan-6-one, 20-ethyl-10-hydroxy-1,14,16-trimethoxy-4-methyl-7,8-(methylenebis(oxy))-, (1alpha,14alpha,16beta)-
TL;DR: Aconitan-6-one, 20-ethyl-10-hydroxy-1,14,16-trimethoxy-4-methyl-7,8-(methylenebis(oxy))-, (1alpha,14alpha,16beta)- (CAS 51856-91-8) is a chemical compound with molecular formula C25H37NO7 and molecular weight 463.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
14-ethyl-2-hydroxy-4,6,19-trimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.12,5.01,13.03,8.08,12.016,20]docosan-21-one
Also Known As: Aconitan-6-one, 20-ethyl-10-hydroxy-1,14,16-trimethoxy-4-methyl-7,8-(methylenebis(oxy))-, (1alpha,14alpha,16beta)-
| Molecular Formula | C25H37NO7 |
|---|---|
| Molecular Weight | 463.26 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 86.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 463.257 |
| Heavy Atoms | 33 |
| Complexity | 915.0 |
Chemical Identifiers
| CAS Number | 51856-91-8 |
|---|---|
| SMILES | CCN1CC2(CCC(C34C2C(=O)C5(C31)C6(CC(C7CC4(C6C7OC)O)OC)OCO5)OC)C |
| InChIKey | TXYJTEYUHCHSBK-UHFFFAOYSA-N |
Product Overview
Aconitan-6-one, 20-ethyl-10-hydroxy-1,14,16-trimethoxy-4-methyl-7,8-(methylenebis(oxy))-, (1alpha,14alpha,16beta)- (CAS 51856-91-8), with molecular formula C25H37NO7 and molecular weight 463.26 g/mol. IUPAC: 14-ethyl-2-hydroxy-4,6,19-trimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.12,5.01,13.03,8.08,12.016,20]docosan-21-one.
Chemical Property Profile of Aconitan-6-one, 20-ethyl-10-hydroxy-1,14,16-trimethoxy-4-methyl-7,8-(methylenebis(oxy))-, (1alpha,14alpha,16beta)-
Property Insights of Aconitan-6-one, 20-ethyl-10-hydroxy-1,14,16-trimethoxy-4-methyl-7,8-(methylenebis(oxy))-, (1alpha,14alpha,16beta)-
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Aconitan-6-one, 20-ethyl-10-hydroxy-1,14,16-trimethoxy-4-methyl-7,8-(methylenebis(oxy))-, (1alpha,14alpha,16beta)-. The TPSA of 86.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Aconitan-6-one, 20-ethyl-10-hydroxy-1,14,16-trimethoxy-4-methyl-7,8-(methylenebis(oxy))-, (1alpha,14alpha,16beta)-. Following Lipinski's Rule of Five, Aconitan-6-one, 20-ethyl-10-hydroxy-1,14,16-trimethoxy-4-methyl-7,8-(methylenebis(oxy))-, (1alpha,14alpha,16beta)- has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Aconitan-6-one, 20-ethyl-10-hydroxy-1,14,16-trimethoxy-4-methyl-7,8-(methylenebis(oxy))-, (1alpha,14alpha,16beta)-?
The CAS number of Aconitan-6-one, 20-ethyl-10-hydroxy-1,14,16-trimethoxy-4-methyl-7,8-(methylenebis(oxy))-, (1alpha,14alpha,16beta)- is 51856-91-8.
What is the molecular formula of Aconitan-6-one, 20-ethyl-10-hydroxy-1,14,16-trimethoxy-4-methyl-7,8-(methylenebis(oxy))-, (1alpha,14alpha,16beta)-?
The molecular formula of Aconitan-6-one, 20-ethyl-10-hydroxy-1,14,16-trimethoxy-4-methyl-7,8-(methylenebis(oxy))-, (1alpha,14alpha,16beta)- is C25H37NO7.
What is the molecular weight of Aconitan-6-one, 20-ethyl-10-hydroxy-1,14,16-trimethoxy-4-methyl-7,8-(methylenebis(oxy))-, (1alpha,14alpha,16beta)-?
The molecular weight of Aconitan-6-one, 20-ethyl-10-hydroxy-1,14,16-trimethoxy-4-methyl-7,8-(methylenebis(oxy))-, (1alpha,14alpha,16beta)- is 463.26 g/mol.
Where can I buy Aconitan-6-one, 20-ethyl-10-hydroxy-1,14,16-trimethoxy-4-methyl-7,8-(methylenebis(oxy))-, (1alpha,14alpha,16beta)-?
You can request a quote for Aconitan-6-one, 20-ethyl-10-hydroxy-1,14,16-trimethoxy-4-methyl-7,8-(methylenebis(oxy))-, (1alpha,14alpha,16beta)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aconitan-6-one, 20-ethyl-10-hydroxy-1,14,16-trimethoxy-4-methyl-7,8-(methylenebis(oxy))-, (1alpha,14alpha,16beta)-?
Yes, KEHONG BIO provides custom synthesis services for Aconitan-6-one, 20-ethyl-10-hydroxy-1,14,16-trimethoxy-4-methyl-7,8-(methylenebis(oxy))-, (1alpha,14alpha,16beta)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.