Hippocrateine I
TL;DR: Hippocrateine I (CAS 153526-61-5) is a chemical compound with molecular formula C48H52N2O19 and molecular weight 960.3164 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[21,22,24-triacetyloxy-20-(acetyloxymethyl)-19-benzoyloxy-25-hydroxy-3,13,14,25-tetramethyl-6,15-dioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.01,20.03,23.07,12]pentacosa-7(12),8,10-trien-18-yl] 1-methyl-6-oxopyridine-3-carboxylate
Also Known As: Hippocrateine I, Evonine, 8-(acetyloxy)-O1-benzoyl-O1,O2-dideacetyl-8-deoxo-O2-((1,6-dihydro-1-methyl-6-oxo-3-pyridinyl)carbonyl)-, (8alpha)-, [21,22,24-triacetyloxy-20-(acetyloxymethyl)-19-benzoyloxy-25-hydroxy-3,13,14,25-tetramethyl-6,15-dioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.01,20.03,23.07,12]pentacosa-7(12),8,10-trien-18-yl] 1-methyl-6-oxopyridine-3-carboxylate, 21,22,24-tris(acetyloxy)-20-[(acetyloxy)methyl]-19-(benzoyloxy)-25-hydroxy-3,13,14,25-tetramethyl-6,15-dioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.01,20.03,23.07,12]pentacosa-7,9,11-trien-18-yl 1-methyl-6-oxo-1,6-dihydropyridine-3-carboxylate(non-preferred name), (21,22,24-triacetyloxy-20-(acetyloxymethyl)-19-benzoyloxy-25-hydroxy-3,13,14,25-tetramethyl-6,15-dioxo-2,5,16-trioxa-11-azapentacyclo(15.7.1.01,20.03,23.07,12)pentacosa-7(12),8,10-trien-18-yl) 1-methyl-6-oxopyridine-3-carboxylate
Technical Specifications
| Molecular Formula | C48H52N2O19 |
| Molecular Weight | 960.3164 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 273.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 15 |
| Exact Mass | 960.3164 Da |
| Heavy Atoms | 69 |
| Complexity | 2190.0 |
| SMILES | CC1C(C(=O)OC2C(C(C3(C(C(C4C(C3(C2(C)O)OC4(COC(=O)C5=C1N=CC=C5)C)OC(=O)C)OC(=O)C)OC(=O)C)COC(=O)C)OC(=O)C6=CC=CC=C6)OC(=O)C7=CN(C(=O)C=C7)C)C |
| InChIKey | RTDUSTYBGFBJCI-UHFFFAOYSA-N |
Chemical Property Profile of Hippocrateine I
Property Insights of Hippocrateine I
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hippocrateine I. The TPSA of 273.0 Ų indicates high polarity, suggesting Hippocrateine I may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Hippocrateine I has 1 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Hippocrateine I?
The CAS number of Hippocrateine I is 153526-61-5.
What is the molecular formula of Hippocrateine I?
The molecular formula of Hippocrateine I is C48H52N2O19.
What is the molecular weight of Hippocrateine I?
The molecular weight of Hippocrateine I is 960.3164 g/mol.
Where can I buy Hippocrateine I?
You can request a quote for Hippocrateine I directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Hippocrateine I?
Yes, CoreyChem provides custom synthesis services for Hippocrateine I and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.