Benzeneacetic acid, 2,4-dihydroxy-, methyl ester
TL;DR: Benzeneacetic acid, 2,4-dihydroxy-, methyl ester (CAS 67828-42-6) is a chemical compound with molecular formula C9H10O4 and molecular weight 182.0579 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-(2,4-dihydroxyphenyl)acetate
Also Known As: Methyl 2,4-dihydroxyphenylacetate, methyl 2-(2,4-dihydroxyphenyl)acetate, Benzeneacetic acid, 2,4-dihydroxy-, methyl ester, methyl2,4-dihydroxyphenylacetate, methyl(2,4-dihydroxyphenyl)acetate
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H10O4 |
| Molecular Weight | 182.0579 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 182.0579 Da |
| Heavy Atoms | 13 |
| Complexity | 180.0 |
| SMILES | COC(=O)CC1=C(C=C(C=C1)O)O |
| InChIKey | FSSXHUOFRDFPMF-UHFFFAOYSA-N |
Chemical Property Profile of Benzeneacetic acid, 2,4-dihydroxy-, methyl ester
Property Insights of Benzeneacetic acid, 2,4-dihydroxy-, methyl ester
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzeneacetic acid, 2,4-dihydroxy-, methyl ester. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzeneacetic acid, 2,4-dihydroxy-, methyl ester. Following Lipinski's Rule of Five, Benzeneacetic acid, 2,4-dihydroxy-, methyl ester 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 Benzeneacetic acid, 2,4-dihydroxy-, methyl ester?
The CAS number of Benzeneacetic acid, 2,4-dihydroxy-, methyl ester is 67828-42-6.
What is the molecular formula of Benzeneacetic acid, 2,4-dihydroxy-, methyl ester?
The molecular formula of Benzeneacetic acid, 2,4-dihydroxy-, methyl ester is C9H10O4.
What is the molecular weight of Benzeneacetic acid, 2,4-dihydroxy-, methyl ester?
The molecular weight of Benzeneacetic acid, 2,4-dihydroxy-, methyl ester is 182.0579 g/mol.
Where can I buy Benzeneacetic acid, 2,4-dihydroxy-, methyl ester?
You can request a quote for Benzeneacetic acid, 2,4-dihydroxy-, methyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzeneacetic acid, 2,4-dihydroxy-, methyl ester?
Yes, CoreyChem provides custom synthesis services for Benzeneacetic acid, 2,4-dihydroxy-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.