N-(4'-Amino-n-butyl)-3-aminoacetylstrophanthidin
TL;DR: N-(4'-Amino-n-butyl)-3-aminoacetylstrophanthidin (CAS 5340-68-1) is a chemical compound with molecular formula C29H44N2O7 and molecular weight 532.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,5S,8R,9S,10S,13R,14S,17R)-10-formyl-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-(4-aminobutylamino)acetate
Also Known As: Sid 768538, N-(4'-Amino-n-butyl)-3-aminoacetylstrophanthidin, [(3S,5S,8R,9S,10S,13R,14S,17R)-10-formyl-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-(4-aminobutylamino)acetate, Glycine, N-(4-aminobutyl)-, (3beta,5beta,14beta)-21,23-epoxy-5,14-dihydroxy-19,23-dioxo-24-norchol-20(22)-en-3-yl ester, glycine, n-(4-aminobutyl)-,(3
| Molecular Formula | C29H44N2O7 |
|---|---|
| Molecular Weight | 532.31 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 148.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 532.3149 |
| Heavy Atoms | 38 |
| Complexity | 986.0 |
Chemical Identifiers
| CAS Number | 5340-68-1 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@]1(CC[C@@H]2C4=CC(=O)OC4)O)CC[C@]5([C@@]3(CC[C@@H](C5)OC(=O)CNCCCCN)C=O)O |
| InChIKey | DPSQMLWKHZUFKB-SBQWKNPYSA-N |
Product Overview
N-(4'-Amino-n-butyl)-3-aminoacetylstrophanthidin (CAS 5340-68-1), with molecular formula C29H44N2O7 and molecular weight 532.31 g/mol. IUPAC: [(3S,5S,8R,9S,10S,13R,14S,17R)-10-formyl-5,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-(4-aminobutylamino)acetate.
Chemical Property Profile of N-(4'-Amino-n-butyl)-3-aminoacetylstrophanthidin
Property Insights of N-(4'-Amino-n-butyl)-3-aminoacetylstrophanthidin
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4'-Amino-n-butyl)-3-aminoacetylstrophanthidin. The TPSA of 148.0 Ų indicates high polarity, suggesting N-(4'-Amino-n-butyl)-3-aminoacetylstrophanthidin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-(4'-Amino-n-butyl)-3-aminoacetylstrophanthidin has 4 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 N-(4'-Amino-n-butyl)-3-aminoacetylstrophanthidin?
The CAS number of N-(4'-Amino-n-butyl)-3-aminoacetylstrophanthidin is 5340-68-1.
What is the molecular formula of N-(4'-Amino-n-butyl)-3-aminoacetylstrophanthidin?
The molecular formula of N-(4'-Amino-n-butyl)-3-aminoacetylstrophanthidin is C29H44N2O7.
What is the molecular weight of N-(4'-Amino-n-butyl)-3-aminoacetylstrophanthidin?
The molecular weight of N-(4'-Amino-n-butyl)-3-aminoacetylstrophanthidin is 532.31 g/mol.
Where can I buy N-(4'-Amino-n-butyl)-3-aminoacetylstrophanthidin?
You can request a quote for N-(4'-Amino-n-butyl)-3-aminoacetylstrophanthidin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4'-Amino-n-butyl)-3-aminoacetylstrophanthidin?
Yes, KEHONG BIO provides custom synthesis services for N-(4'-Amino-n-butyl)-3-aminoacetylstrophanthidin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.