20-Formyl-8,13,15-trihydroxy-1,6,16-trimethoxy-4-(methoxymethyl)aconitan-14-yl benzoate
TL;DR: 20-Formyl-8,13,15-trihydroxy-1,6,16-trimethoxy-4-(methoxymethyl)aconitan-14-yl benzoate (CAS 7241-58-9) is a chemical compound with molecular formula C31H41NO10 and molecular weight 587.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[11-formyl-5,7,8-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate
Also Known As: 20-Formyl-8,13,15-trihydroxy-1,6,16-trimethoxy-4-(methoxymethyl)aconitan-14-yl benzoate
| Molecular Formula | C31H41NO10 |
|---|---|
| Molecular Weight | 587.27 g/mol |
| LogP | 0.243 |
| Topological Polar Surface Area | 144.22 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 587.2731 |
| Heavy Atoms | 42 |
| Complexity | 1249.3302 |
Chemical Identifiers
| CAS Number | 7241-58-9 |
|---|---|
| SMILES | COCC12CCC(C34C1C(C(C3N(C2)C=O)C5(C6C4CC(C6OC(=O)C7=CC=CC=C7)(C(C5O)OC)O)O)OC)OC |
Product Overview
20-Formyl-8,13,15-trihydroxy-1,6,16-trimethoxy-4-(methoxymethyl)aconitan-14-yl benzoate (CAS 7241-58-9), with molecular formula C31H41NO10 and molecular weight 587.27 g/mol. IUPAC: [11-formyl-5,7,8-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate.
Chemical Property Profile of 20-Formyl-8,13,15-trihydroxy-1,6,16-trimethoxy-4-(methoxymethyl)aconitan-14-yl benzoate
Property Insights of 20-Formyl-8,13,15-trihydroxy-1,6,16-trimethoxy-4-(methoxymethyl)aconitan-14-yl benzoate
The XLogP value of 0.243 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 20-Formyl-8,13,15-trihydroxy-1,6,16-trimethoxy-4-(methoxymethyl)aconitan-14-yl benzoate. The TPSA of 144.22 Ų indicates high polarity, suggesting 20-Formyl-8,13,15-trihydroxy-1,6,16-trimethoxy-4-(methoxymethyl)aconitan-14-yl benzoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 20-Formyl-8,13,15-trihydroxy-1,6,16-trimethoxy-4-(methoxymethyl)aconitan-14-yl benzoate has 3 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 20-Formyl-8,13,15-trihydroxy-1,6,16-trimethoxy-4-(methoxymethyl)aconitan-14-yl benzoate?
The CAS number of 20-Formyl-8,13,15-trihydroxy-1,6,16-trimethoxy-4-(methoxymethyl)aconitan-14-yl benzoate is 7241-58-9.
What is the molecular formula of 20-Formyl-8,13,15-trihydroxy-1,6,16-trimethoxy-4-(methoxymethyl)aconitan-14-yl benzoate?
The molecular formula of 20-Formyl-8,13,15-trihydroxy-1,6,16-trimethoxy-4-(methoxymethyl)aconitan-14-yl benzoate is C31H41NO10.
What is the molecular weight of 20-Formyl-8,13,15-trihydroxy-1,6,16-trimethoxy-4-(methoxymethyl)aconitan-14-yl benzoate?
The molecular weight of 20-Formyl-8,13,15-trihydroxy-1,6,16-trimethoxy-4-(methoxymethyl)aconitan-14-yl benzoate is 587.27 g/mol.
Where can I buy 20-Formyl-8,13,15-trihydroxy-1,6,16-trimethoxy-4-(methoxymethyl)aconitan-14-yl benzoate?
You can request a quote for 20-Formyl-8,13,15-trihydroxy-1,6,16-trimethoxy-4-(methoxymethyl)aconitan-14-yl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 20-Formyl-8,13,15-trihydroxy-1,6,16-trimethoxy-4-(methoxymethyl)aconitan-14-yl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 20-Formyl-8,13,15-trihydroxy-1,6,16-trimethoxy-4-(methoxymethyl)aconitan-14-yl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.