4a,9a-Epoxyanthracene-9,10-dione, 1,2,3,4-tetrahydro-6,7-dimethyl-
TL;DR: 4a,9a-Epoxyanthracene-9,10-dione, 1,2,3,4-tetrahydro-6,7-dimethyl- (CAS 71173-52-9) is a chemical compound with molecular formula C16H16O3 and molecular weight 256.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,6-dimethyl-15-oxatetracyclo[8.4.1.01,10.03,8]pentadeca-3(8),4,6-triene-2,9-dione
Also Known As: 1,2,3,4-Tetrahydro-6,7-dimethyl-4a,9a-epoxyanthracene-9,10-dione, 4a,9a-Epoxyanthracene-9,10-dione, 1,2,3,4-tetrahydro-6,7-dimethyl-, 6,7-Dimethyl-1,2,3,4-tetrahydro-4a,9a-epoxyanthracene-9,10-dione, 5,6-dimethyl-15-oxatetracyclo[8.4.1.01,10.03,8]pentadeca-3(8),4,6-triene-2,9-dione, RefChem:100599
| Molecular Formula | C16H16O3 |
|---|---|
| Molecular Weight | 256.11 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 46.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 256.10995 |
| Heavy Atoms | 19 |
| Complexity | 429.0 |
Chemical Identifiers
| CAS Number | 71173-52-9 |
|---|---|
| SMILES | CC1=CC2=C(C=C1C)C(=O)C34CCCCC3(C2=O)O4 |
| InChIKey | OJNNGLAQBNGNSK-UHFFFAOYSA-N |
Product Overview
4a,9a-Epoxyanthracene-9,10-dione, 1,2,3,4-tetrahydro-6,7-dimethyl- (CAS 71173-52-9), with molecular formula C16H16O3 and molecular weight 256.11 g/mol. IUPAC: 5,6-dimethyl-15-oxatetracyclo[8.4.1.01,10.03,8]pentadeca-3(8),4,6-triene-2,9-dione.
Chemical Property Profile of 4a,9a-Epoxyanthracene-9,10-dione, 1,2,3,4-tetrahydro-6,7-dimethyl-
Property Insights of 4a,9a-Epoxyanthracene-9,10-dione, 1,2,3,4-tetrahydro-6,7-dimethyl-
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4a,9a-Epoxyanthracene-9,10-dione, 1,2,3,4-tetrahydro-6,7-dimethyl-. With a topological polar surface area (TPSA) of 46.7 Ų, 4a,9a-Epoxyanthracene-9,10-dione, 1,2,3,4-tetrahydro-6,7-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4a,9a-Epoxyanthracene-9,10-dione, 1,2,3,4-tetrahydro-6,7-dimethyl- has 0 hydrogen bond donor(s) and 3 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,9a-Epoxyanthracene-9,10-dione, 1,2,3,4-tetrahydro-6,7-dimethyl-?
The CAS number of 4a,9a-Epoxyanthracene-9,10-dione, 1,2,3,4-tetrahydro-6,7-dimethyl- is 71173-52-9.
What is the molecular formula of 4a,9a-Epoxyanthracene-9,10-dione, 1,2,3,4-tetrahydro-6,7-dimethyl-?
The molecular formula of 4a,9a-Epoxyanthracene-9,10-dione, 1,2,3,4-tetrahydro-6,7-dimethyl- is C16H16O3.
What is the molecular weight of 4a,9a-Epoxyanthracene-9,10-dione, 1,2,3,4-tetrahydro-6,7-dimethyl-?
The molecular weight of 4a,9a-Epoxyanthracene-9,10-dione, 1,2,3,4-tetrahydro-6,7-dimethyl- is 256.11 g/mol.
Where can I buy 4a,9a-Epoxyanthracene-9,10-dione, 1,2,3,4-tetrahydro-6,7-dimethyl-?
You can request a quote for 4a,9a-Epoxyanthracene-9,10-dione, 1,2,3,4-tetrahydro-6,7-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4a,9a-Epoxyanthracene-9,10-dione, 1,2,3,4-tetrahydro-6,7-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 4a,9a-Epoxyanthracene-9,10-dione, 1,2,3,4-tetrahydro-6,7-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.