14-Deacetylajadine
TL;DR: 14-Deacetylajadine (CAS 63596-61-2) is a chemical compound with molecular formula C33H46N2O9 and molecular weight 614.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,3R,4S,5R,6S,8R,13S,16S,17R,18S)-11-ethyl-4,8,9-trihydroxy-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: N-Acetyldelectine, 14-Deacetylajadine, 14-Demethylajacine
| Molecular Formula | C33H46N2O9 |
|---|---|
| Molecular Weight | 614.32 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 147.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 614.3203 |
| Heavy Atoms | 44 |
| Complexity | 1170.0 |
Chemical Identifiers
| CAS Number | 63596-61-2 |
|---|---|
| SMILES | CCN1C[C@@]2(CC[C@@H](C34[C@@H]2[C@@H](C(C31)([C@]5(C[C@@H]([C@@H]6C[C@H]4[C@@H]5[C@H]6O)OC)O)O)OC)OC)COC(=O)C7=CC=CC=C7NC(=O)C |
| InChIKey | GVZZOVYQNAEUTQ-UWMRMDCESA-N |
Product Overview
14-Deacetylajadine (CAS 63596-61-2), with molecular formula C33H46N2O9 and molecular weight 614.32 g/mol. IUPAC: [(2S,3R,4S,5R,6S,8R,13S,16S,17R,18S)-11-ethyl-4,8,9-trihydroxy-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 14-Deacetylajadine
Property Insights of 14-Deacetylajadine
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 14-Deacetylajadine. The TPSA of 147.0 Ų indicates high polarity, suggesting 14-Deacetylajadine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 14-Deacetylajadine has 4 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 14-Deacetylajadine?
The CAS number of 14-Deacetylajadine is 63596-61-2.
What is the molecular formula of 14-Deacetylajadine?
The molecular formula of 14-Deacetylajadine is C33H46N2O9.
What is the molecular weight of 14-Deacetylajadine?
The molecular weight of 14-Deacetylajadine is 614.32 g/mol.
Where can I buy 14-Deacetylajadine?
You can request a quote for 14-Deacetylajadine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 14-Deacetylajadine?
Yes, KEHONG BIO provides custom synthesis services for 14-Deacetylajadine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.