Avadharidine
TL;DR: Avadharidine (CAS 509-16-0) is a chemical compound with molecular formula C36H51N3O10 and molecular weight 685.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2R,3R,4S,5R,6S,8R,9S,13S,16S,17R,18R)-11-ethyl-8,9-dihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl]methyl 2-[(4-amino-4-oxobutanoyl)amino]benzoate
Also Known As: Avadharidine, Tetranitro-methan, Aconitane-7,8-diol, 4-(((2-((4-amino-1,4-dioxobutyl)amino)benzoyl)oxy)methyl)-20-ethyl-1,6,14,16-tetramethoxy-, (1alpha,6beta,14alpha,16beta)-, (20-ethyl-7,8-dihydroxy-1alpha,6beta,14alpha,16beta-tetramethoxyaconitan-4-yl)methyl 2-(4-amino-4-oxobutanamido)benzoate, [(1S,2R,3R,4S,5R,6S,8R,9S,13S,16S,17R,18R)-11-ethyl-8,9-dihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl]methyl 2-[(4-amino-4-oxobutanoyl)amino]benzoate
| Molecular Formula | C36H51N3O10 |
|---|---|
| Molecular Weight | 685.36 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 179.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 13 |
| Exact Mass | 685.3574 |
| Heavy Atoms | 49 |
| Complexity | 1320.0 |
Chemical Identifiers
| CAS Number | 509-16-0 |
|---|---|
| SMILES | CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2[C@H]([C@@](C31)([C@]5(C[C@@H]([C@H]6C[C@@H]4[C@@H]5[C@H]6OC)OC)O)O)OC)OC)COC(=O)C7=CC=CC=C7NC(=O)CCC(=O)N |
| InChIKey | ZBALYAJAWGGUCX-OVHFASGNSA-N |
Product Overview
Avadharidine (CAS 509-16-0), with molecular formula C36H51N3O10 and molecular weight 685.36 g/mol. IUPAC: [(1S,2R,3R,4S,5R,6S,8R,9S,13S,16S,17R,18R)-11-ethyl-8,9-dihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl]methyl 2-[(4-amino-4-oxobutanoyl)amino]benzoate.
Chemical Property Profile of Avadharidine
Property Insights of Avadharidine
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Avadharidine. The TPSA of 179.0 Ų indicates high polarity, suggesting Avadharidine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Avadharidine has 4 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 Avadharidine?
The CAS number of Avadharidine is 509-16-0.
What is the molecular formula of Avadharidine?
The molecular formula of Avadharidine is C36H51N3O10.
What is the molecular weight of Avadharidine?
The molecular weight of Avadharidine is 685.36 g/mol.
Where can I buy Avadharidine?
You can request a quote for Avadharidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Avadharidine?
Yes, KEHONG BIO provides custom synthesis services for Avadharidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.