3-Methylcholanthrene
TL;DR: 3-Methylcholanthrene (CAS 56-49-5) is a chemical compound with molecular formula C21H16 and molecular weight 268.1252 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-methyl-1,2-dihydrobenzo[j]aceanthrylene
Also Known As: 3-methylcholanthrene, Methylcholanthrene, 20-Methylcholanthrene, 3-Methoxycholanthrene, 3-MC
Application Areas
Top 5 of 15 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C21H16 |
| Molecular Weight | 268.1252 g/mol |
| XLogP | 6.4 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 268.1252 Da |
| Heavy Atoms | 21 |
| Complexity | 399.0 |
| Melting Point | 354 to 356 °F (NTP, 1992) |
| Boiling Point | 536 °F at 80 mmHg (NTP, 1992) |
| Density | 1.28 at 68 °F (NTP, 1992) - Denser than water; will sink |
| Vapor Pressure | 6.85e-07 mmHg at 68 °F (NTP, 1992) |
| Solubility | less than 0.1 mg/mL at 64 °F (NTP, 1992) |
| SMILES | CC1=C2CCC3=C2C(=CC4=C3C=CC5=CC=CC=C54)C=C1 |
| InChIKey | PPQNQXQZIWHJRB-UHFFFAOYSA-N |
Product Description
Applications: 3-Methylcholanthrene is used in pharmaceutical synthesis routes and API production, as well as biotechnology workflows and life-science research. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 3-Methylcholanthrene (CAS 56-49-5) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
3-Methylcholanthrene is a pharmaceutical intermediate identified by CAS number 56-49-5 and the molecular formula C21H16 and a molecular weight of 268.13 g/mol. Physically, the compound has a density of 1.28 at 68 °F (NTP, 1992) - Denser than water; will sink g/cm³, a solubility: less than 0.1 mg/mL at 64 °F (NTP, 1992). It is also known as 3-methylcholanthrene and Methylcholanthrene.
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 3-Methylcholanthrene
Property Insights of 3-Methylcholanthrene
The XLogP value of 6.4 indicates that 3-Methylcholanthrene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 3-Methylcholanthrene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methylcholanthrene 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 3-Methylcholanthrene?
The CAS number of 3-Methylcholanthrene is 56-49-5.
What is the molecular formula of 3-Methylcholanthrene?
The molecular formula of 3-Methylcholanthrene is C21H16.
What is the molecular weight of 3-Methylcholanthrene?
The molecular weight of 3-Methylcholanthrene is 268.1252 g/mol.
What are the applications of 3-Methylcholanthrene?
3-Methylcholanthrene is used in pharmaceutical synthesis routes and API production, as well as biotechnology workflows and life-science research. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 3-Methylcholanthrene (CAS 56-49-5) with custom synthesis...
Where can I buy 3-Methylcholanthrene?
You can request a quote for 3-Methylcholanthrene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Methylcholanthrene?
Yes, CoreyChem provides custom synthesis services for 3-Methylcholanthrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.