Junceellin
TL;DR: Junceellin (CAS 92508-09-3) is a chemical compound with molecular formula C28H35ClO11 and molecular weight 582.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,3S,7S,8R,9R,10S,11R,13S,14R,17R)-2,9,10-triacetyloxy-13-chloro-8,17-dimethyl-4,12-dimethylidene-16-oxo-15,18-dioxatetracyclo[9.6.1.01,14.03,8]octadecan-7-yl] acetate
Also Known As: Junceellin, (-)-Junceellin, (1R,3aR,4S,6R,7S,8R,8aR,9S,12aS,13S)-4-Chloro-1,8a-dimethyl-5,12-dimethylidene-2-oxotetradecahydro-3aH-6,13a-epoxybenzo[4,5]cyclodeca[1,2-b]furan-7,8,9,13-tetrayl tetraacetate, [(2S,3S,7S,8R,9R,10S,11R,13S,14R,17R)-2,9,10-triacetyloxy-13-chloro-8,17-dimethyl-4,12-dimethylidene-16-oxo-15,18-dioxatetracyclo[9.6.1.01,14.03,8]octadecan-7-yl] acetate, 3aH-6,13a-Epoxybenzo(4,5)cyclodeca(1,2-b)furan-2(1H)-one, 7,8,9,13-tetrakis(acetyloxy)-4-chlorododecahydro-1,8a-dimethyl-5,12-bis(methylene)-, (1R,3aR,4S,6S,7S,8R,8aR,9S,12aS,13S,13aR)-
| Molecular Formula | C28H35ClO11 |
|---|---|
| Molecular Weight | 582.19 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 141.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 8 |
| Exact Mass | 582.18677 |
| Heavy Atoms | 40 |
| Complexity | 1160.0 |
Chemical Identifiers
| CAS Number | 92508-09-3 |
|---|---|
| SMILES | C[C@H]1C(=O)O[C@@H]2C13[C@H]([C@H]4C(=C)CC[C@@H]([C@@]4([C@H]([C@H]([C@H](O3)C(=C)[C@@H]2Cl)OC(=O)C)OC(=O)C)C)OC(=O)C)OC(=O)C |
| InChIKey | PXWWTSQKNXBHTK-PFCJEJOKSA-N |
Product Overview
Junceellin (CAS 92508-09-3), with molecular formula C28H35ClO11 and molecular weight 582.19 g/mol. IUPAC: [(2S,3S,7S,8R,9R,10S,11R,13S,14R,17R)-2,9,10-triacetyloxy-13-chloro-8,17-dimethyl-4,12-dimethylidene-16-oxo-15,18-dioxatetracyclo[9.6.1.01,14.03,8]octadecan-7-yl] acetate.
Chemical Property Profile of Junceellin
Property Insights of Junceellin
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Junceellin. The TPSA of 141.0 Ų indicates high polarity, suggesting Junceellin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Junceellin has 0 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Junceellin?
The CAS number of Junceellin is 92508-09-3.
What is the molecular formula of Junceellin?
The molecular formula of Junceellin is C28H35ClO11.
What is the molecular weight of Junceellin?
The molecular weight of Junceellin is 582.19 g/mol.
Where can I buy Junceellin?
You can request a quote for Junceellin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Junceellin?
Yes, KEHONG BIO provides custom synthesis services for Junceellin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.