D0QK2E
TL;DR: D0QK2E (CAS 226912-84-1) is a chemical compound with molecular formula C27H28F3NO2 and molecular weight 455.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R,3aS,4S,4aR,8aS,9aR)-3-methyl-4-[(E)-2-[5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]ethenyl]-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-3H-benzo[f][2]benzofuran-1-one
Also Known As: (3R,3aS,4S,4aR,8aS,9aR)-3-Methyl-4-{(E)-2-[5-(3-trifluoromethyl-phenyl)-pyridin-2-yl]-vinyl}-decahydro-naphtho[2,3-c]furan-1-one, (+)-(3R,3aS,4S,4aR,9aR)-decahydro-4-[(E)-2-[5-[3-(trifluoromethy)phenyl]l-2-pyridinyl]ethenyl]-3-methylnaphtho-[2,3-c]furan-1(3H)-one, (3R,3aS,4S,4aR,8aS,9aR)-3-methyl-4-(2-(5-(3-(trifluoromethyl)phenyl)pyridin-2-yl)vinyl)-decahydronaphtho[2,3-c]furan-1(3H)-one, (3R,3aS,4S,4aR,8aS,9aR,E)-3-methyl-4-(2-(5-(3-(trifluoromethyl)phenyl)pyridin-2-yl)vinyl)-decahydronaphtho[2,3-c]furan-1(3H)-one
| Molecular Formula | C27H28F3NO2 |
|---|---|
| Molecular Weight | 455.21 g/mol |
| LogP | 6.7846 |
| Topological Polar Surface Area | 39.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 455.2072 |
| Heavy Atoms | 33 |
| Complexity | 1046.0771 |
Chemical Identifiers
| CAS Number | 226912-84-1 |
|---|---|
| SMILES | C[C@@H]1[C@@H]2[C@@H](C[C@@H]3CCCC[C@H]3[C@@H]2/C=C/C4=NC=C(C=C4)C5=CC(=CC=C5)C(F)(F)F)C(=O)O1 |
Product Overview
D0QK2E (CAS 226912-84-1), with molecular formula C27H28F3NO2 and molecular weight 455.21 g/mol. IUPAC: (3R,3aS,4S,4aR,8aS,9aR)-3-methyl-4-[(E)-2-[5-[3-(trifluoromethyl)phenyl]-2-pyridinyl]ethenyl]-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-3H-benzo[f][2]benzofuran-1-one.
Chemical Property Profile of D0QK2E
Property Insights of D0QK2E
The XLogP value of 6.7846 indicates that D0QK2E is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.19 Ų, D0QK2E exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, D0QK2E has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of D0QK2E?
The CAS number of D0QK2E is 226912-84-1.
What is the molecular formula of D0QK2E?
The molecular formula of D0QK2E is C27H28F3NO2.
What is the molecular weight of D0QK2E?
The molecular weight of D0QK2E is 455.21 g/mol.
Where can I buy D0QK2E?
You can request a quote for D0QK2E directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for D0QK2E?
Yes, KEHONG BIO provides custom synthesis services for D0QK2E and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.