(4aR,9aS)-4a,9,9a,10-tetrahydroanthracene-1,4-dione
TL;DR: (4aR,9aS)-4a,9,9a,10-tetrahydroanthracene-1,4-dione (CAS 100642-60-2) is a chemical compound with molecular formula C14H12O2 and molecular weight 212.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4aS,9aR)-4a,9,9a,10-tetrahydroanthracene-1,4-dione
Also Known As: 1,4-Anthracenedione, 4a,9,9a,10-tetrahydro-, cis-, (4aR,9aS)-4a,9,9a,10-tetrahydroanthracene-1,4-dione
| Molecular Formula | C14H12O2 |
|---|---|
| Molecular Weight | 212.08 g/mol |
| LogP | 1.7256 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 212.08372 |
| Heavy Atoms | 16 |
| Complexity | 454.21173 |
Chemical Identifiers
| CAS Number | 100642-60-2 |
|---|---|
| SMILES | C1[C@@H]2[C@H](CC3=CC=CC=C31)C(=O)C=CC2=O |
Product Overview
(4aR,9aS)-4a,9,9a,10-tetrahydroanthracene-1,4-dione (CAS 100642-60-2), with molecular formula C14H12O2 and molecular weight 212.08 g/mol. IUPAC: (4aS,9aR)-4a,9,9a,10-tetrahydroanthracene-1,4-dione.
Chemical Property Profile of (4aR,9aS)-4a,9,9a,10-tetrahydroanthracene-1,4-dione
Property Insights of (4aR,9aS)-4a,9,9a,10-tetrahydroanthracene-1,4-dione
The XLogP value of 1.7256 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4aR,9aS)-4a,9,9a,10-tetrahydroanthracene-1,4-dione. With a topological polar surface area (TPSA) of 34.14 Ų, (4aR,9aS)-4a,9,9a,10-tetrahydroanthracene-1,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4aR,9aS)-4a,9,9a,10-tetrahydroanthracene-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 (4aR,9aS)-4a,9,9a,10-tetrahydroanthracene-1,4-dione?
The CAS number of (4aR,9aS)-4a,9,9a,10-tetrahydroanthracene-1,4-dione is 100642-60-2.
What is the molecular formula of (4aR,9aS)-4a,9,9a,10-tetrahydroanthracene-1,4-dione?
The molecular formula of (4aR,9aS)-4a,9,9a,10-tetrahydroanthracene-1,4-dione is C14H12O2.
What is the molecular weight of (4aR,9aS)-4a,9,9a,10-tetrahydroanthracene-1,4-dione?
The molecular weight of (4aR,9aS)-4a,9,9a,10-tetrahydroanthracene-1,4-dione is 212.08 g/mol.
Where can I buy (4aR,9aS)-4a,9,9a,10-tetrahydroanthracene-1,4-dione?
You can request a quote for (4aR,9aS)-4a,9,9a,10-tetrahydroanthracene-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 (4aR,9aS)-4a,9,9a,10-tetrahydroanthracene-1,4-dione?
Yes, KEHONG BIO provides custom synthesis services for (4aR,9aS)-4a,9,9a,10-tetrahydroanthracene-1,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.