4,5-Dimethylresorcinol
TL;DR: 4,5-Dimethylresorcinol (CAS 527-55-9) is a chemical compound with molecular formula C8H10O2 and molecular weight 138.06808 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4,5-dimethylbenzene-1,3-diol
Also Known As: 4,5-DIMETHYLRESORCINOL, 4,5-dimethylbenzene-1,3-diol, 4-Methylorcinol, o-Xylorcinol, 3,2-dimethylbenzene
Application Areas
Top 5 of 10 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H10O2 |
| Molecular Weight | 138.06808 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 138.06808 Da |
| Heavy Atoms | 10 |
| Complexity | 114.0 |
| SMILES | CC1=CC(=CC(=C1C)O)O |
| InChIKey | RCNCKKACINZDOI-UHFFFAOYSA-N |
Product Description
Applications: 4,5-Dimethylresorcinol is used in pharmaceutical synthesis routes and API production, as well as polymer chemistry and functional materials synthesis. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 4,5-Dimethylresorcinol (CAS 527-55-9) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
4,5-Dimethylresorcinol is a pharmaceutical intermediate identified by CAS number 527-55-9 and the molecular formula C8H10O2 and a molecular weight of 138.07 g/mol. It is also known as 4,5-DIMETHYLRESORCINOL and 4,5-dimethylbenzene-1,3-diol.
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 4,5-Dimethylresorcinol
Property Insights of 4,5-Dimethylresorcinol
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5-Dimethylresorcinol. With a topological polar surface area (TPSA) of 40.5 Ų, 4,5-Dimethylresorcinol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5-Dimethylresorcinol has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4,5-Dimethylresorcinol?
The CAS number of 4,5-Dimethylresorcinol is 527-55-9.
What is the molecular formula of 4,5-Dimethylresorcinol?
The molecular formula of 4,5-Dimethylresorcinol is C8H10O2.
What is the molecular weight of 4,5-Dimethylresorcinol?
The molecular weight of 4,5-Dimethylresorcinol is 138.06808 g/mol.
What are the applications of 4,5-Dimethylresorcinol?
4,5-Dimethylresorcinol is used in pharmaceutical synthesis routes and API production, as well as polymer chemistry and functional materials synthesis. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 4,5-Dimethylresorcinol (CAS 527-55-9) with custom...
Where can I buy 4,5-Dimethylresorcinol?
You can request a quote for 4,5-Dimethylresorcinol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4,5-Dimethylresorcinol?
Yes, CoreyChem provides custom synthesis services for 4,5-Dimethylresorcinol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.