3-(4-Azido-3-iodophenyl)propionamide-4-(4,6-dideoxyglucosyl)digitoxigenin
TL;DR: 3-(4-Azido-3-iodophenyl)propionamide-4-(4,6-dideoxyglucosyl)digitoxigenin (CAS 126594-35-2) is a chemical compound with molecular formula C38H51IN4O8 and molecular weight 818.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-azido-3-iodophenyl)-N-[(2R,3S,4S,5R,6R)-4,5-dihydroxy-6-[[(3S,5R,8R,9S,10S,13R,17R)-14-hydroxy-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]-2-methyloxan-3-yl]propanamide
Also Known As: Aipp-glud, KST-1A0968, 3-(4-Azido-3-iodophenyl)propionamide-4-(4,6-dideoxyglucosyl)digitoxigenin, 3-(4-azido-3-iodophenyl)-N-[(2R,3S,4S,5R,6R)-4,5-dihydroxy-6-[[(3S,5R,8R,9S,10S,13R,17R)-14-hydroxy-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]-2-methyloxan-3-yl]propanamide, (3
| Molecular Formula | C38H51IN4O8 |
|---|---|
| Molecular Weight | 818.28 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 149.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 818.27515 |
| Heavy Atoms | 51 |
| Complexity | 1430.0 |
Chemical Identifiers
| CAS Number | 126594-35-2 |
|---|---|
| SMILES | C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3CC[C@]5(C4(CC[C@@H]5C6=CC(=O)OC6)O)C)C)O)O)NC(=O)CCC7=CC(=C(C=C7)N=[N+]=[N-])I |
| InChIKey | HVHGGOOPLAXKON-JKJQPJGOSA-N |
Product Overview
3-(4-Azido-3-iodophenyl)propionamide-4-(4,6-dideoxyglucosyl)digitoxigenin (CAS 126594-35-2), with molecular formula C38H51IN4O8 and molecular weight 818.28 g/mol. IUPAC: 3-(4-azido-3-iodophenyl)-N-[(2R,3S,4S,5R,6R)-4,5-dihydroxy-6-[[(3S,5R,8R,9S,10S,13R,17R)-14-hydroxy-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]-2-methyloxan-3-yl]propanamide.
Chemical Property Profile of 3-(4-Azido-3-iodophenyl)propionamide-4-(4,6-dideoxyglucosyl)digitoxigenin
Property Insights of 3-(4-Azido-3-iodophenyl)propionamide-4-(4,6-dideoxyglucosyl)digitoxigenin
The XLogP value of 5.6 indicates that 3-(4-Azido-3-iodophenyl)propionamide-4-(4,6-dideoxyglucosyl)digitoxigenin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 149.0 Ų indicates high polarity, suggesting 3-(4-Azido-3-iodophenyl)propionamide-4-(4,6-dideoxyglucosyl)digitoxigenin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-(4-Azido-3-iodophenyl)propionamide-4-(4,6-dideoxyglucosyl)digitoxigenin 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 3-(4-Azido-3-iodophenyl)propionamide-4-(4,6-dideoxyglucosyl)digitoxigenin?
The CAS number of 3-(4-Azido-3-iodophenyl)propionamide-4-(4,6-dideoxyglucosyl)digitoxigenin is 126594-35-2.
What is the molecular formula of 3-(4-Azido-3-iodophenyl)propionamide-4-(4,6-dideoxyglucosyl)digitoxigenin?
The molecular formula of 3-(4-Azido-3-iodophenyl)propionamide-4-(4,6-dideoxyglucosyl)digitoxigenin is C38H51IN4O8.
What is the molecular weight of 3-(4-Azido-3-iodophenyl)propionamide-4-(4,6-dideoxyglucosyl)digitoxigenin?
The molecular weight of 3-(4-Azido-3-iodophenyl)propionamide-4-(4,6-dideoxyglucosyl)digitoxigenin is 818.28 g/mol.
Where can I buy 3-(4-Azido-3-iodophenyl)propionamide-4-(4,6-dideoxyglucosyl)digitoxigenin?
You can request a quote for 3-(4-Azido-3-iodophenyl)propionamide-4-(4,6-dideoxyglucosyl)digitoxigenin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Azido-3-iodophenyl)propionamide-4-(4,6-dideoxyglucosyl)digitoxigenin?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Azido-3-iodophenyl)propionamide-4-(4,6-dideoxyglucosyl)digitoxigenin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.