Cochlioquinone A
TL;DR: Cochlioquinone A (CAS 3743-89-3) is a chemical compound with molecular formula C30H44O8 and molecular weight 532.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,3R,4S)-2-[(3R,4aR,6aR,12S,12aS,12bR)-12-hydroxy-3-(2-hydroxypropan-2-yl)-6a,12b-dimethyl-8,11-dioxo-1,2,3,4a,5,6,12,12a-octahydropyrano[3,2-a]xanthen-9-yl]-4-methylhexan-3-yl] acetate
Also Known As: Cochlioquinone A, Coclioquinone A, Luteoleersin, CochlioquinoneA, epi-Cochlioquinone A
| Molecular Formula | C30H44O8 |
|---|---|
| Molecular Weight | 532.30 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 532.3036 |
| Heavy Atoms | 38 |
| Complexity | 1070.0 |
Chemical Identifiers
| CAS Number | 3743-89-3 |
|---|---|
| SMILES | CC[C@H](C)[C@H]([C@@H](C)C1=CC(=O)C2=C(C1=O)O[C@@]3(CC[C@@H]4[C@@]([C@H]3[C@@H]2O)(CC[C@@H](O4)C(C)(C)O)C)C)OC(=O)C |
| InChIKey | UWSYUCZPPVXEKW-MHUJPXPPSA-N |
Product Overview
Cochlioquinone A (CAS 3743-89-3), with molecular formula C30H44O8 and molecular weight 532.30 g/mol. IUPAC: [(2S,3R,4S)-2-[(3R,4aR,6aR,12S,12aS,12bR)-12-hydroxy-3-(2-hydroxypropan-2-yl)-6a,12b-dimethyl-8,11-dioxo-1,2,3,4a,5,6,12,12a-octahydropyrano[3,2-a]xanthen-9-yl]-4-methylhexan-3-yl] acetate.
Chemical Property Profile of Cochlioquinone A
Property Insights of Cochlioquinone A
The XLogP value of 3.4 indicates that Cochlioquinone A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Cochlioquinone A. Following Lipinski's Rule of Five, Cochlioquinone A has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cochlioquinone A?
The CAS number of Cochlioquinone A is 3743-89-3.
What is the molecular formula of Cochlioquinone A?
The molecular formula of Cochlioquinone A is C30H44O8.
What is the molecular weight of Cochlioquinone A?
The molecular weight of Cochlioquinone A is 532.30 g/mol.
Where can I buy Cochlioquinone A?
You can request a quote for Cochlioquinone A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cochlioquinone A?
Yes, KEHONG BIO provides custom synthesis services for Cochlioquinone A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.