O,O'-Dicyclobutanecarbonyl (1,2-ethylene) bispilocarpic acid diester
TL;DR: O,O'-Dicyclobutanecarbonyl (1,2-ethylene) bispilocarpic acid diester (CAS 156589-30-9) is a chemical compound with molecular formula C34H50N4O8 and molecular weight 642.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S)-3-[2-[(2S,3R)-3-(cyclobutanecarbonyloxymethyl)-2-ethyl-4-(3-methylimidazol-4-yl)butanoyl]oxyethoxycarbonyl]-2-[(3-methylimidazol-4-yl)methyl]pentyl] cyclobutanecarboxylate
Also Known As: O,O'-Dicyclobutanecarbonyl (1,2-ethylene) bispilocarpic acid diester, 1H-Imidazole-5-butanoic acid, beta-(((cyclobutylcarbonyl)oxy)methyl)-alpha-ethyl-1-methyl-, 1,2-ethanediyl ester, (alphaS-(alphaR*(alpha'R*,beta'S*),betaS*))-, [(2R,3S)-3-[2-[(2S,3R)-3-(cyclobutanecarbonyloxymethyl)-2-ethyl-4-(3-methylimidazol-4-yl)butanoyl]oxyethoxycarbonyl]-2-[(3-methylimidazol-4-yl)methyl]pentyl] cyclobutanecarboxylate, {[(Ethane-1,2-diyl)bis(oxy)carbonyl]-(2R,3S)-2-[(1-methyl-1H-imidazol-5-yl)methyl]pentane-3,1-diyl} dicyclobutanecarboxylate, 2-{[(2S,3R)-4-(cyclobutanecarbonyloxy)-2-ethyl-3-[(1-methyl-1H-imidazol-5-yl)methyl]butanoyl]oxy}ethyl (2S,3R)-4-(cyclobutanecarbonyloxy)-2-ethyl-3-[(1-methyl-1H-imidazol-5-yl)methyl]butanoate
| Molecular Formula | C34H50N4O8 |
|---|---|
| Molecular Weight | 642.36 g/mol |
| LogP | 3.9966 |
| Topological Polar Surface Area | 140.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 19 |
| Exact Mass | 642.36285 |
| Heavy Atoms | 46 |
| Complexity | 1199.3364 |
Chemical Identifiers
| CAS Number | 156589-30-9 |
|---|---|
| SMILES | CC[C@@H]([C@@H](CC1=CN=CN1C)COC(=O)C2CCC2)C(=O)OCCOC(=O)[C@@H](CC)[C@@H](CC3=CN=CN3C)COC(=O)C4CCC4 |
Product Overview
O,O'-Dicyclobutanecarbonyl (1,2-ethylene) bispilocarpic acid diester (CAS 156589-30-9), with molecular formula C34H50N4O8 and molecular weight 642.36 g/mol. IUPAC: [(2R,3S)-3-[2-[(2S,3R)-3-(cyclobutanecarbonyloxymethyl)-2-ethyl-4-(3-methylimidazol-4-yl)butanoyl]oxyethoxycarbonyl]-2-[(3-methylimidazol-4-yl)methyl]pentyl] cyclobutanecarboxylate.
Chemical Property Profile of O,O'-Dicyclobutanecarbonyl (1,2-ethylene) bispilocarpic acid diester
Property Insights of O,O'-Dicyclobutanecarbonyl (1,2-ethylene) bispilocarpic acid diester
The XLogP value of 3.9966 indicates that O,O'-Dicyclobutanecarbonyl (1,2-ethylene) bispilocarpic acid diester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 140.84 Ų indicates high polarity, suggesting O,O'-Dicyclobutanecarbonyl (1,2-ethylene) bispilocarpic acid diester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, O,O'-Dicyclobutanecarbonyl (1,2-ethylene) bispilocarpic acid diester has 0 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 O,O'-Dicyclobutanecarbonyl (1,2-ethylene) bispilocarpic acid diester?
The CAS number of O,O'-Dicyclobutanecarbonyl (1,2-ethylene) bispilocarpic acid diester is 156589-30-9.
What is the molecular formula of O,O'-Dicyclobutanecarbonyl (1,2-ethylene) bispilocarpic acid diester?
The molecular formula of O,O'-Dicyclobutanecarbonyl (1,2-ethylene) bispilocarpic acid diester is C34H50N4O8.
What is the molecular weight of O,O'-Dicyclobutanecarbonyl (1,2-ethylene) bispilocarpic acid diester?
The molecular weight of O,O'-Dicyclobutanecarbonyl (1,2-ethylene) bispilocarpic acid diester is 642.36 g/mol.
Where can I buy O,O'-Dicyclobutanecarbonyl (1,2-ethylene) bispilocarpic acid diester?
You can request a quote for O,O'-Dicyclobutanecarbonyl (1,2-ethylene) bispilocarpic acid diester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O,O'-Dicyclobutanecarbonyl (1,2-ethylene) bispilocarpic acid diester?
Yes, KEHONG BIO provides custom synthesis services for O,O'-Dicyclobutanecarbonyl (1,2-ethylene) bispilocarpic acid diester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.