4-Chloro-3-methylcatechol
TL;DR: 4-Chloro-3-methylcatechol (CAS 18257-21-1) is a chemical compound with molecular formula C7H7ClO2 and molecular weight 158.01346 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-chloro-3-methylbenzene-1,2-diol
Also Known As: 4-Chloro-3-methylpyrocatechol, 4-chloro-3-methylbenzene-1,2-diol, 4-chloro-3-methylcatechol, 4-Chloro-3-methyl-1,2-benzenediol, 1,2-Benzenediol, 4-chloro-3-methyl-
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H7ClO2 |
| Molecular Weight | 158.01346 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 158.01346 Da |
| Heavy Atoms | 10 |
| Complexity | 118.0 |
| SMILES | CC1=C(C=CC(=C1O)O)Cl |
| InChIKey | IRYAHOGVOVVMOG-UHFFFAOYSA-N |
Chemical Property Profile of 4-Chloro-3-methylcatechol
Property Insights of 4-Chloro-3-methylcatechol
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-3-methylcatechol. With a topological polar surface area (TPSA) of 40.5 Ų, 4-Chloro-3-methylcatechol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-3-methylcatechol 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-Chloro-3-methylcatechol?
The CAS number of 4-Chloro-3-methylcatechol is 18257-21-1.
What is the molecular formula of 4-Chloro-3-methylcatechol?
The molecular formula of 4-Chloro-3-methylcatechol is C7H7ClO2.
What is the molecular weight of 4-Chloro-3-methylcatechol?
The molecular weight of 4-Chloro-3-methylcatechol is 158.01346 g/mol.
Where can I buy 4-Chloro-3-methylcatechol?
You can request a quote for 4-Chloro-3-methylcatechol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Chloro-3-methylcatechol?
Yes, CoreyChem provides custom synthesis services for 4-Chloro-3-methylcatechol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.