14-Epicochlioquinone B
TL;DR: 14-Epicochlioquinone B (CAS 19394-03-7) 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.
3-(2-hydroxypropan-2-yl)-6a,12b-dimethyl-9-(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: 14-Epicochlioquinone B, COCHLIOQUINONE B, Cochliochinon B, 3-ETHYLAMINOPHENYLBORONIC ACID, Cochlioquinone A, 20-de(acetyloxy)-11-deoxy-20-oxo-
| 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 | 19394-03-7 |
|---|---|
| SMILES | CCC(C)C(=O)C(C)C1=CC(=O)C2=C(C1=O)OC3(CCC4C(C3C2)(CCC(O4)C(C)(C)O)C)C |
| InChIKey | NTPNSKLZWVYKGK-UHFFFAOYSA-N |
Product Overview
14-Epicochlioquinone B (CAS 19394-03-7), with molecular formula C28H40O6 and molecular weight 472.28 g/mol. IUPAC: 3-(2-hydroxypropan-2-yl)-6a,12b-dimethyl-9-(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 14-Epicochlioquinone B
Property Insights of 14-Epicochlioquinone B
The XLogP value of 3.9 indicates that 14-Epicochlioquinone 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 14-Epicochlioquinone B. Following Lipinski's Rule of Five, 14-Epicochlioquinone 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 14-Epicochlioquinone B?
The CAS number of 14-Epicochlioquinone B is 19394-03-7.
What is the molecular formula of 14-Epicochlioquinone B?
The molecular formula of 14-Epicochlioquinone B is C28H40O6.
What is the molecular weight of 14-Epicochlioquinone B?
The molecular weight of 14-Epicochlioquinone B is 472.28 g/mol.
Where can I buy 14-Epicochlioquinone B?
You can request a quote for 14-Epicochlioquinone B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 14-Epicochlioquinone B?
Yes, KEHONG BIO provides custom synthesis services for 14-Epicochlioquinone B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.