N-hydroxysuccinimidyl digoxigenin-3-O-methylcarbonyl-epsilon-aminocaproate
TL;DR: N-hydroxysuccinimidyl digoxigenin-3-O-methylcarbonyl-epsilon-aminocaproate (CAS 129273-26-3) is a chemical compound with molecular formula C35H50N2O10 and molecular weight 658.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,5-dioxopyrrolidin-1-yl) 6-[[2-[[(3S,5R,8R,9S,10S,12R,13S,17R)-12,14-dihydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]acetyl]amino]hexanoate
Also Known As: HDMA, Digoxigenin NHS ester, Digoxigenin NHS-ester, N-Hydroxysuccinimidyl digoxigenin-3-O-methylcarbonyl-epsilon-aminocaproate, (3beta,5beta,12beta)-3-(2-((6-((2,5-Dioxo-1-pyrrolidinyl)oxy)-6-oxohexyl)amino)-2-oxoethoxy)-12,14-dihydroxycard-20(22)-enolide
| Molecular Formula | C35H50N2O10 |
|---|---|
| Molecular Weight | 658.35 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 169.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 12 |
| Exact Mass | 658.34656 |
| Heavy Atoms | 47 |
| Complexity | 1300.0 |
Chemical Identifiers
| CAS Number | 129273-26-3 |
|---|---|
| SMILES | C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2C[C@H]([C@]4(C3(CC[C@@H]4C5=CC(=O)OC5)O)C)O)OCC(=O)NCCCCCC(=O)ON6C(=O)CCC6=O |
| InChIKey | KHNDABJZSPPYLE-MZARVJLWSA-N |
Product Overview
N-hydroxysuccinimidyl digoxigenin-3-O-methylcarbonyl-epsilon-aminocaproate (CAS 129273-26-3), with molecular formula C35H50N2O10 and molecular weight 658.35 g/mol. IUPAC: (2,5-dioxopyrrolidin-1-yl) 6-[[2-[[(3S,5R,8R,9S,10S,12R,13S,17R)-12,14-dihydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]acetyl]amino]hexanoate.
Chemical Property Profile of N-hydroxysuccinimidyl digoxigenin-3-O-methylcarbonyl-epsilon-aminocaproate
Property Insights of N-hydroxysuccinimidyl digoxigenin-3-O-methylcarbonyl-epsilon-aminocaproate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-hydroxysuccinimidyl digoxigenin-3-O-methylcarbonyl-epsilon-aminocaproate. The TPSA of 169.0 Ų indicates high polarity, suggesting N-hydroxysuccinimidyl digoxigenin-3-O-methylcarbonyl-epsilon-aminocaproate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-hydroxysuccinimidyl digoxigenin-3-O-methylcarbonyl-epsilon-aminocaproate has 3 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 N-hydroxysuccinimidyl digoxigenin-3-O-methylcarbonyl-epsilon-aminocaproate?
The CAS number of N-hydroxysuccinimidyl digoxigenin-3-O-methylcarbonyl-epsilon-aminocaproate is 129273-26-3.
What is the molecular formula of N-hydroxysuccinimidyl digoxigenin-3-O-methylcarbonyl-epsilon-aminocaproate?
The molecular formula of N-hydroxysuccinimidyl digoxigenin-3-O-methylcarbonyl-epsilon-aminocaproate is C35H50N2O10.
What is the molecular weight of N-hydroxysuccinimidyl digoxigenin-3-O-methylcarbonyl-epsilon-aminocaproate?
The molecular weight of N-hydroxysuccinimidyl digoxigenin-3-O-methylcarbonyl-epsilon-aminocaproate is 658.35 g/mol.
Where can I buy N-hydroxysuccinimidyl digoxigenin-3-O-methylcarbonyl-epsilon-aminocaproate?
You can request a quote for N-hydroxysuccinimidyl digoxigenin-3-O-methylcarbonyl-epsilon-aminocaproate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-hydroxysuccinimidyl digoxigenin-3-O-methylcarbonyl-epsilon-aminocaproate?
Yes, KEHONG BIO provides custom synthesis services for N-hydroxysuccinimidyl digoxigenin-3-O-methylcarbonyl-epsilon-aminocaproate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.