Ajadine
TL;DR: Ajadine (CAS 58480-81-2) is a chemical compound with molecular formula C35H48N2O10 and molecular weight 656.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,5R,6S,8R,13S,16R,18S)-4-acetyloxy-11-ethyl-8,9-dihydroxy-6,16,18-trimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl]methyl 2-acetamidobenzoate
Also Known As: Ajadine, N,O14-Diacetyldelectine, O14-Demethylajacine 14-acetate, Aconitane-7,8-14-triol, 4-(((2-(acetylamino)benzoyl)oxy)methyl)-20-ethyl-1,6,16-trimethoxy-, 14-acetate, (1alpha,6beta,14alpha,16beta)-, [(1S,5R,6S,8R,13S,16R,18S)-4-acetyloxy-11-ethyl-8,9-dihydroxy-6,16,18-trimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl]methyl 2-acetamidobenzoate
| Molecular Formula | C35H48N2O10 |
|---|---|
| Molecular Weight | 656.33 g/mol |
| LogP | 2.0108 |
| Topological Polar Surface Area | 153.09 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 9 |
| Exact Mass | 656.3309 |
| Heavy Atoms | 47 |
| Complexity | 1456.7843 |
Chemical Identifiers
| CAS Number | 58480-81-2 |
|---|---|
| SMILES | CCN1C[C@@]2(CC[C@H]([C@@]34C2[C@@H](C(C31)([C@]5(C[C@@H]([C@H]6CC4C5C6OC(=O)C)OC)O)O)OC)OC)COC(=O)C7=CC=CC=C7NC(=O)C |
Product Overview
Ajadine (CAS 58480-81-2), with molecular formula C35H48N2O10 and molecular weight 656.33 g/mol. IUPAC: [(1S,5R,6S,8R,13S,16R,18S)-4-acetyloxy-11-ethyl-8,9-dihydroxy-6,16,18-trimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl]methyl 2-acetamidobenzoate.
Chemical Property Profile of Ajadine
Property Insights of Ajadine
The XLogP value of 2.0108 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ajadine. The TPSA of 153.09 Ų indicates high polarity, suggesting Ajadine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ajadine has 3 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ajadine?
The CAS number of Ajadine is 58480-81-2.
What is the molecular formula of Ajadine?
The molecular formula of Ajadine is C35H48N2O10.
What is the molecular weight of Ajadine?
The molecular weight of Ajadine is 656.33 g/mol.
Where can I buy Ajadine?
You can request a quote for Ajadine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ajadine?
Yes, KEHONG BIO provides custom synthesis services for Ajadine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.