Desacetylnudicauline
TL;DR: Desacetylnudicauline (CAS 119347-24-9) is a chemical compound with molecular formula C36H48N2O10 and molecular weight 668.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3R,4S,5S,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-[(3S)-3-methyl-2,5-dioxopyrrolidin-1-yl]benzoate
Also Known As: Desacetylnudicauline, O-Deacetylnudicauline, 14-Deacetylandersoline, 14-Deacetylnudicauline, 14-deacetyl-nudicauline
| Molecular Formula | C36H48N2O10 |
|---|---|
| Molecular Weight | 668.33 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 155.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 9 |
| Exact Mass | 668.3309 |
| Heavy Atoms | 48 |
| Complexity | 1360.0 |
Chemical Identifiers
| CAS Number | 119347-24-9 |
|---|---|
| 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=C7N8C(=O)C[C@@H](C8=O)C |
| InChIKey | GFWYSOWSJXKFFQ-ASOHRCBQSA-N |
Product Overview
Desacetylnudicauline (CAS 119347-24-9), with molecular formula C36H48N2O10 and molecular weight 668.33 g/mol. IUPAC: [(2R,3R,4S,5S,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-[(3S)-3-methyl-2,5-dioxopyrrolidin-1-yl]benzoate.
Chemical Property Profile of Desacetylnudicauline
Property Insights of Desacetylnudicauline
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Desacetylnudicauline. The TPSA of 155.0 Ų indicates high polarity, suggesting Desacetylnudicauline may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Desacetylnudicauline 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 Desacetylnudicauline?
The CAS number of Desacetylnudicauline is 119347-24-9.
What is the molecular formula of Desacetylnudicauline?
The molecular formula of Desacetylnudicauline is C36H48N2O10.
What is the molecular weight of Desacetylnudicauline?
The molecular weight of Desacetylnudicauline is 668.33 g/mol.
Where can I buy Desacetylnudicauline?
You can request a quote for Desacetylnudicauline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Desacetylnudicauline?
Yes, KEHONG BIO provides custom synthesis services for Desacetylnudicauline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.