7,12-Dimethylbenz(a)anthracene
TL;DR: 7,12-Dimethylbenz(a)anthracene (CAS 57-97-6) is a chemical compound with molecular formula C20H16 and molecular weight 256.1252 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7,12-dimethylbenzo[a]anthracene
Also Known As: 7,12-Dimethylbenz[a]anthracene, DMBA, 7,12-dimethyltetraphene, 7,12-Dimethylbenzanthracene, 9,10-Dimethyl-1,2-benzanthracene
Application Areas
Top 5 of 18 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C20H16 |
| Molecular Weight | 256.1252 g/mol |
| XLogP | 5.8 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 256.1252 Da |
| Heavy Atoms | 20 |
| Complexity | 346.0 |
| Melting Point | 252 to 253 °F (NTP, 1992) |
| Flash Point | 187 °F (NTP, 1992) |
| Vapor Pressure | 0.0000002 [mmHg] |
| Solubility | less than 1 mg/mL at 64 °F (NTP, 1992) |
| SMILES | CC1=C2C=CC3=CC=CC=C3C2=C(C4=CC=CC=C14)C |
| InChIKey | ARSRBNBHOADGJU-UHFFFAOYSA-N |
Product Description
Applications: 7,12-Dimethylbenz(a)anthracene is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 7,12-Dimethylbenz(a)anthracene (CAS 57-97-6) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A pharmaceutical intermediate supplied by CoreyChem, 7,12-Dimethylbenz(a)anthracene (CAS 57-97-6) has the molecular formula C20H16 and a molecular weight of 256.13 g/mol. Reported properties include a solubility: less than 1 mg/mL at 64 °F (NTP, 1992). It is also known as 7,12-Dimethylbenz[a]anthracene and DMBA.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 7,12-Dimethylbenz(a)anthracene
Property Insights of 7,12-Dimethylbenz(a)anthracene
The XLogP value of 5.8 indicates that 7,12-Dimethylbenz(a)anthracene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 7,12-Dimethylbenz(a)anthracene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7,12-Dimethylbenz(a)anthracene has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 7,12-Dimethylbenz(a)anthracene?
The CAS number of 7,12-Dimethylbenz(a)anthracene is 57-97-6.
What is the molecular formula of 7,12-Dimethylbenz(a)anthracene?
The molecular formula of 7,12-Dimethylbenz(a)anthracene is C20H16.
What is the molecular weight of 7,12-Dimethylbenz(a)anthracene?
The molecular weight of 7,12-Dimethylbenz(a)anthracene is 256.1252 g/mol.
What are the applications of 7,12-Dimethylbenz(a)anthracene?
7,12-Dimethylbenz(a)anthracene is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies...
Where can I buy 7,12-Dimethylbenz(a)anthracene?
You can request a quote for 7,12-Dimethylbenz(a)anthracene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 7,12-Dimethylbenz(a)anthracene?
Yes, CoreyChem provides custom synthesis services for 7,12-Dimethylbenz(a)anthracene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.