Benzo(j)aceanthrylene-9,10-dione, 1,2-dihydro-6-methyl-
TL;DR: Benzo(j)aceanthrylene-9,10-dione, 1,2-dihydro-6-methyl- (CAS 111238-22-3) is a chemical compound with molecular formula C21H14O2 and molecular weight 298.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methyl-1,2-dihydrobenzo[j]aceanthrylene-9,10-dione
Also Known As: Benzo(j)aceanthrylene-9,10-dione, 1,2-dihydro-6-methyl-, 6-Methyl-1,2-dihydrobenzo(j)aceanthrylene-9,10-dione, 6-methyl-1,2-dihydrobenzo[j]aceanthrylene-9,10-dione, 6-methyl-1,2-dihydrocyclopenta[ij]tetraphene-9,10-dione
| Molecular Formula | C21H14O2 |
|---|---|
| Molecular Weight | 298.10 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 298.09937 |
| Heavy Atoms | 23 |
| Complexity | 576.0 |
Chemical Identifiers
| CAS Number | 111238-22-3 |
|---|---|
| SMILES | CC1=C2C(=C3CCC4=C3C1=CC=C4)C=CC5=C2C=CC(=O)C5=O |
| InChIKey | KSCMZJXCRNWBCN-UHFFFAOYSA-N |
Product Overview
Benzo(j)aceanthrylene-9,10-dione, 1,2-dihydro-6-methyl- (CAS 111238-22-3), with molecular formula C21H14O2 and molecular weight 298.10 g/mol. IUPAC: 6-methyl-1,2-dihydrobenzo[j]aceanthrylene-9,10-dione.
Chemical Property Profile of Benzo(j)aceanthrylene-9,10-dione, 1,2-dihydro-6-methyl-
Property Insights of Benzo(j)aceanthrylene-9,10-dione, 1,2-dihydro-6-methyl-
The XLogP value of 4.6 indicates that Benzo(j)aceanthrylene-9,10-dione, 1,2-dihydro-6-methyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.1 Ų, Benzo(j)aceanthrylene-9,10-dione, 1,2-dihydro-6-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo(j)aceanthrylene-9,10-dione, 1,2-dihydro-6-methyl- 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 Benzo(j)aceanthrylene-9,10-dione, 1,2-dihydro-6-methyl-?
The CAS number of Benzo(j)aceanthrylene-9,10-dione, 1,2-dihydro-6-methyl- is 111238-22-3.
What is the molecular formula of Benzo(j)aceanthrylene-9,10-dione, 1,2-dihydro-6-methyl-?
The molecular formula of Benzo(j)aceanthrylene-9,10-dione, 1,2-dihydro-6-methyl- is C21H14O2.
What is the molecular weight of Benzo(j)aceanthrylene-9,10-dione, 1,2-dihydro-6-methyl-?
The molecular weight of Benzo(j)aceanthrylene-9,10-dione, 1,2-dihydro-6-methyl- is 298.10 g/mol.
Where can I buy Benzo(j)aceanthrylene-9,10-dione, 1,2-dihydro-6-methyl-?
You can request a quote for Benzo(j)aceanthrylene-9,10-dione, 1,2-dihydro-6-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzo(j)aceanthrylene-9,10-dione, 1,2-dihydro-6-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Benzo(j)aceanthrylene-9,10-dione, 1,2-dihydro-6-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.