4a,4b,5,6,7,8,10,10a-Octahydrophenanthrene-1,4-dione
TL;DR: 4a,4b,5,6,7,8,10,10a-Octahydrophenanthrene-1,4-dione (CAS 4733-09-9) is a chemical compound with molecular formula C14H16O2 and molecular weight 216.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4a,4b,5,6,7,8,10,10a-octahydrophenanthrene-1,4-dione
Also Known As: 4a,4b,5,6,7,8,10,10a-octahydrophenanthrene-1,4-dione
| Molecular Formula | C14H16O2 |
|---|---|
| Molecular Weight | 216.12 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 216.11504 |
| Heavy Atoms | 16 |
| Complexity | 403.0 |
Chemical Identifiers
| CAS Number | 4733-09-9 |
|---|---|
| SMILES | C1CCC2=CCC3C(C2C1)C(=O)C=CC3=O |
| InChIKey | RFIIQNJFXJVPTI-UHFFFAOYSA-N |
Product Overview
4a,4b,5,6,7,8,10,10a-Octahydrophenanthrene-1,4-dione (CAS 4733-09-9), with molecular formula C14H16O2 and molecular weight 216.12 g/mol. IUPAC: 4a,4b,5,6,7,8,10,10a-octahydrophenanthrene-1,4-dione.
Chemical Property Profile of 4a,4b,5,6,7,8,10,10a-Octahydrophenanthrene-1,4-dione
Property Insights of 4a,4b,5,6,7,8,10,10a-Octahydrophenanthrene-1,4-dione
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4a,4b,5,6,7,8,10,10a-Octahydrophenanthrene-1,4-dione. With a topological polar surface area (TPSA) of 34.1 Ų, 4a,4b,5,6,7,8,10,10a-Octahydrophenanthrene-1,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4a,4b,5,6,7,8,10,10a-Octahydrophenanthrene-1,4-dione has 0 hydrogen bond donor(s) and 2 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 4a,4b,5,6,7,8,10,10a-Octahydrophenanthrene-1,4-dione?
The CAS number of 4a,4b,5,6,7,8,10,10a-Octahydrophenanthrene-1,4-dione is 4733-09-9.
What is the molecular formula of 4a,4b,5,6,7,8,10,10a-Octahydrophenanthrene-1,4-dione?
The molecular formula of 4a,4b,5,6,7,8,10,10a-Octahydrophenanthrene-1,4-dione is C14H16O2.
What is the molecular weight of 4a,4b,5,6,7,8,10,10a-Octahydrophenanthrene-1,4-dione?
The molecular weight of 4a,4b,5,6,7,8,10,10a-Octahydrophenanthrene-1,4-dione is 216.12 g/mol.
Where can I buy 4a,4b,5,6,7,8,10,10a-Octahydrophenanthrene-1,4-dione?
You can request a quote for 4a,4b,5,6,7,8,10,10a-Octahydrophenanthrene-1,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4a,4b,5,6,7,8,10,10a-Octahydrophenanthrene-1,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 4a,4b,5,6,7,8,10,10a-Octahydrophenanthrene-1,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.