Cochlioquinone B
TL;DR: Cochlioquinone B (CAS 32450-26-3) is a chemical compound with molecular formula C28H40O6 and molecular weight 472.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R,4aR,6aR,12aR,12bR)-3-(2-hydroxypropan-2-yl)-6a,12b-dimethyl-9-[(2S,4S)-4-methyl-3-oxohexan-2-yl]-1,2,3,4a,5,6,12,12a-octahydropyrano[3,2-a]xanthene-8,11-dione
Also Known As: COCHLIOQUINONE B, 14-Epicochlioquinone B, (3R,4aR,6aR,12aR,12bR)-3-(2-hydroxypropan-2-yl)-6a,12b-dimethyl-9-[(2S,4S)-4-methyl-3-oxohexan-2-yl]-1,2,3,4a,5,6,12,12a-octahydropyrano[3,2-a]xanthene-8,11-dione, 20-De(acetyloxy)-11-deoxy-20-oxo-cochlioquinone A, 20-De(acetyloxy)-11-deoxy-20-oxocochlioquinone A
| Molecular Formula | C28H40O6 |
|---|---|
| Molecular Weight | 472.28 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 472.2825 |
| Heavy Atoms | 34 |
| Complexity | 973.0 |
Chemical Identifiers
| CAS Number | 32450-26-3 |
|---|---|
| SMILES | CC[C@H](C)C(=O)[C@@H](C)C1=CC(=O)C2=C(C1=O)O[C@@]3(CC[C@@H]4[C@@]([C@H]3C2)(CC[C@@H](O4)C(C)(C)O)C)C |
| InChIKey | NTPNSKLZWVYKGK-WWURSIHSSA-N |
Product Overview
Cochlioquinone B (CAS 32450-26-3), with molecular formula C28H40O6 and molecular weight 472.28 g/mol. IUPAC: (3R,4aR,6aR,12aR,12bR)-3-(2-hydroxypropan-2-yl)-6a,12b-dimethyl-9-[(2S,4S)-4-methyl-3-oxohexan-2-yl]-1,2,3,4a,5,6,12,12a-octahydropyrano[3,2-a]xanthene-8,11-dione.
Chemical Property Profile of Cochlioquinone B
Property Insights of Cochlioquinone B
The XLogP value of 3.9 indicates that Cochlioquinone B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Cochlioquinone B. Following Lipinski's Rule of Five, Cochlioquinone B has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cochlioquinone B?
The CAS number of Cochlioquinone B is 32450-26-3.
What is the molecular formula of Cochlioquinone B?
The molecular formula of Cochlioquinone B is C28H40O6.
What is the molecular weight of Cochlioquinone B?
The molecular weight of Cochlioquinone B is 472.28 g/mol.
Where can I buy Cochlioquinone B?
You can request a quote for Cochlioquinone B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cochlioquinone B?
Yes, KEHONG BIO provides custom synthesis services for Cochlioquinone B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.