Methyl 3-chloro-2,6-dihydroxybenzoate
TL;DR: Methyl 3-chloro-2,6-dihydroxybenzoate (CAS 134393-36-5) is a chemical compound with molecular formula C8H7ClO4 and molecular weight 202.00328 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 3-chloro-2,6-dihydroxybenzoate
Also Known As: methyl 3-chloro-2,6-dihydroxybenzoate
Technical Specifications
| Molecular Formula | C8H7ClO4 |
| Molecular Weight | 202.00328 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 202.00328 Da |
| Heavy Atoms | 13 |
| Complexity | 197.0 |
| SMILES | COC(=O)C1=C(C=CC(=C1O)Cl)O |
| InChIKey | TYPINQGMXRRQGD-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 3-chloro-2,6-dihydroxybenzoate
Property Insights of Methyl 3-chloro-2,6-dihydroxybenzoate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-chloro-2,6-dihydroxybenzoate. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-chloro-2,6-dihydroxybenzoate. Following Lipinski's Rule of Five, Methyl 3-chloro-2,6-dihydroxybenzoate has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Methyl 3-chloro-2,6-dihydroxybenzoate?
The CAS number of Methyl 3-chloro-2,6-dihydroxybenzoate is 134393-36-5.
What is the molecular formula of Methyl 3-chloro-2,6-dihydroxybenzoate?
The molecular formula of Methyl 3-chloro-2,6-dihydroxybenzoate is C8H7ClO4.
What is the molecular weight of Methyl 3-chloro-2,6-dihydroxybenzoate?
The molecular weight of Methyl 3-chloro-2,6-dihydroxybenzoate is 202.00328 g/mol.
Where can I buy Methyl 3-chloro-2,6-dihydroxybenzoate?
You can request a quote for Methyl 3-chloro-2,6-dihydroxybenzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 3-chloro-2,6-dihydroxybenzoate?
Yes, CoreyChem provides custom synthesis services for Methyl 3-chloro-2,6-dihydroxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.