8-Acetyl-14-benzoylchasmanine
TL;DR: 8-Acetyl-14-benzoylchasmanine (CAS 77757-14-3) is a chemical compound with molecular formula C34H47NO8 and molecular weight 597.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[8-acetyloxy-11-ethyl-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: Penduline, 8-Acetyl-14-benzoylchasmanine, 13,15-Dideoxyaconitine, [8-acetyloxy-11-ethyl-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate, Aconitane-8,14-diol, 20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)-, 8-acetate 14-benzoate, (1alpha,6alpha,14alpha,16beta)-
| Molecular Formula | C34H47NO8 |
|---|---|
| Molecular Weight | 597.33 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 92.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 11 |
| Exact Mass | 597.33014 |
| Heavy Atoms | 43 |
| Complexity | 1100.0 |
Chemical Identifiers
| CAS Number | 77757-14-3 |
|---|---|
| SMILES | CCN1CC2(CCC(C34C2C(C(C31)C5(CC(C6CC4C5C6OC(=O)C7=CC=CC=C7)OC)OC(=O)C)OC)OC)COC |
| InChIKey | YVVFVJVAHWNXNY-UHFFFAOYSA-N |
Product Overview
8-Acetyl-14-benzoylchasmanine (CAS 77757-14-3), with molecular formula C34H47NO8 and molecular weight 597.33 g/mol. IUPAC: [8-acetyloxy-11-ethyl-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 8-Acetyl-14-benzoylchasmanine
Property Insights of 8-Acetyl-14-benzoylchasmanine
The XLogP value of 3.3 indicates that 8-Acetyl-14-benzoylchasmanine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-Acetyl-14-benzoylchasmanine. Following Lipinski's Rule of Five, 8-Acetyl-14-benzoylchasmanine has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 8-Acetyl-14-benzoylchasmanine?
The CAS number of 8-Acetyl-14-benzoylchasmanine is 77757-14-3.
What is the molecular formula of 8-Acetyl-14-benzoylchasmanine?
The molecular formula of 8-Acetyl-14-benzoylchasmanine is C34H47NO8.
What is the molecular weight of 8-Acetyl-14-benzoylchasmanine?
The molecular weight of 8-Acetyl-14-benzoylchasmanine is 597.33 g/mol.
Where can I buy 8-Acetyl-14-benzoylchasmanine?
You can request a quote for 8-Acetyl-14-benzoylchasmanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Acetyl-14-benzoylchasmanine?
Yes, KEHONG BIO provides custom synthesis services for 8-Acetyl-14-benzoylchasmanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.