2,4-二羟基-3,6-二甲基苯甲酸甲酯
TL;DR: 2,4-二羟基-3,6-二甲基苯甲酸甲酯 (CAS 4707-47-5) is a chemical compound with molecular formula C10H12O4 and molecular weight 196.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-二羟基-3,6-二甲基苯甲酸甲酯
methyl 2,4-dihydroxy-3,6-dimethylbenzoate
Also Known As: Atraric acid, Methyl 2,4-dihydroxy-3,6-dimethylbenzoate, Veramoss, Methyl atrarate, Methyl atratate
| Molecular Formula | C10H12O4 |
|---|---|
| Molecular Weight | 196.07 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 196.07356 |
| Heavy Atoms | 14 |
| Complexity | 216.0 |
Chemical Identifiers
| CAS Number | 4707-47-5 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1C(=O)OC)O)C)O |
| InChIKey | UUQHKWMIDYRWHH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4-二羟基-3,6-二甲基苯甲酸甲酯 (CAS 4707-47-5), with molecular formula C10H12O4 and molecular weight 196.07 g/mol. IUPAC: methyl 2,4-dihydroxy-3,6-dimethylbenzoate.
Chemical Property Profile of 2,4-二羟基-3,6-二甲基苯甲酸甲酯
Property Insights of 2,4-二羟基-3,6-二甲基苯甲酸甲酯
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-二羟基-3,6-二甲基苯甲酸甲酯. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-二羟基-3,6-二甲基苯甲酸甲酯. Following Lipinski's Rule of Five, 2,4-二羟基-3,6-二甲基苯甲酸甲酯 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
Frequently Asked Questions
What is the CAS number of 2,4-二羟基-3,6-二甲基苯甲酸甲酯?
The CAS number of 2,4-二羟基-3,6-二甲基苯甲酸甲酯 is 4707-47-5.
What is the molecular formula of 2,4-二羟基-3,6-二甲基苯甲酸甲酯?
The molecular formula of 2,4-二羟基-3,6-二甲基苯甲酸甲酯 is C10H12O4.
What is the molecular weight of 2,4-二羟基-3,6-二甲基苯甲酸甲酯?
The molecular weight of 2,4-二羟基-3,6-二甲基苯甲酸甲酯 is 196.07 g/mol.
Where can I buy 2,4-二羟基-3,6-二甲基苯甲酸甲酯?
You can request a quote for 2,4-二羟基-3,6-二甲基苯甲酸甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-二羟基-3,6-二甲基苯甲酸甲酯?
Yes, KEHONG BIO provides custom synthesis services for 2,4-二羟基-3,6-二甲基苯甲酸甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.