4,5-Dimethylresorcinol
TL;DR: 4,5-Dimethylresorcinol (CAS 527-55-9) is a chemical compound with molecular formula C8H10O2 and molecular weight 138.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C8H10O2 |
|---|---|
| Molecular Weight | 138.07 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 138.06808 |
| Heavy Atoms | 10 |
| Complexity | 114.0 |
Chemical Identifiers
| CAS Number | 527-55-9 |
|---|---|
| SMILES | CC1=CC(=CC(=C1C)O)O |
| InChIKey | RCNCKKACINZDOI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,5-Dimethylresorcinol (CAS 527-55-9), with molecular formula C8H10O2 and molecular weight 138.07 g/mol. IUPAC: 4,5-dimethylbenzene-1,3-diol.
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
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 138.07 g/mol.
Where can I buy 4,5-Dimethylresorcinol?
You can request a quote for 4,5-Dimethylresorcinol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-Dimethylresorcinol?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Dimethylresorcinol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.