12-Methylbenz(a)anthracene-3,4-dione
TL;DR: 12-Methylbenz(a)anthracene-3,4-dione (CAS 111238-10-9) is a chemical compound with molecular formula C19H12O2 and molecular weight 272.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12-methylbenzo[a]anthracene-3,4-dione
Also Known As: 12-Methylbenz(a)anthracene-3,4-dione, 12-methylbenzo[a]anthracene-3,4-dione, 12-METHYLTETRAPHENE-3,4-DIONE, 12-METHYLBENZ[A]ANTHRACENE-3,4-DIONE, BENZ(A)ANTHRACENE-3,4-DIONE, 12-METHYL-
| Molecular Formula | C19H12O2 |
|---|---|
| Molecular Weight | 272.08 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 272.08374 |
| Heavy Atoms | 21 |
| Complexity | 492.0 |
Chemical Identifiers
| CAS Number | 111238-10-9 |
|---|---|
| SMILES | CC1=C2C(=CC3=CC=CC=C13)C=CC4=C2C=CC(=O)C4=O |
| InChIKey | ZJJYEYXESLFXFZ-UHFFFAOYSA-N |
Product Overview
12-Methylbenz(a)anthracene-3,4-dione (CAS 111238-10-9), with molecular formula C19H12O2 and molecular weight 272.08 g/mol. IUPAC: 12-methylbenzo[a]anthracene-3,4-dione.
Chemical Property Profile of 12-Methylbenz(a)anthracene-3,4-dione
Property Insights of 12-Methylbenz(a)anthracene-3,4-dione
The XLogP value of 4.4 indicates that 12-Methylbenz(a)anthracene-3,4-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.1 Ų, 12-Methylbenz(a)anthracene-3,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 12-Methylbenz(a)anthracene-3,4-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 12-Methylbenz(a)anthracene-3,4-dione?
The CAS number of 12-Methylbenz(a)anthracene-3,4-dione is 111238-10-9.
What is the molecular formula of 12-Methylbenz(a)anthracene-3,4-dione?
The molecular formula of 12-Methylbenz(a)anthracene-3,4-dione is C19H12O2.
What is the molecular weight of 12-Methylbenz(a)anthracene-3,4-dione?
The molecular weight of 12-Methylbenz(a)anthracene-3,4-dione is 272.08 g/mol.
Where can I buy 12-Methylbenz(a)anthracene-3,4-dione?
You can request a quote for 12-Methylbenz(a)anthracene-3,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12-Methylbenz(a)anthracene-3,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 12-Methylbenz(a)anthracene-3,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.