Benzoic acid, 3-formyl-4,6-dihydroxy-2,5-dimethyl-, methyl ester
TL;DR: Benzoic acid, 3-formyl-4,6-dihydroxy-2,5-dimethyl-, methyl ester (CAS 34874-76-5) is a chemical compound with molecular formula C11H12O5 and molecular weight 224.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-formyl-2,4-dihydroxy-3,6-dimethylbenzoate
Also Known As: Benzoic acid, 3-formyl-4,6-dihydroxy-2,5-dimethyl-, methyl ester, Methyl 3-formyl-4,6-dihydroxy-2,5-dimethylbenzoate, methyl 5-formyl-2,4-dihydroxy-3,6-dimethylbenzoate, Methyl 3-formyl-4,6-dihydroxy-2,5-dimethylbenzoate #, 3-Formyl-4,6-dihydroxy-2,5-dimethyl-benzoesaeure-methylester
| Molecular Formula | C11H12O5 |
|---|---|
| Molecular Weight | 224.07 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 83.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 224.06847 |
| Heavy Atoms | 16 |
| Complexity | 278.0 |
Chemical Identifiers
| CAS Number | 34874-76-5 |
|---|---|
| SMILES | CC1=C(C(=C(C(=C1C(=O)OC)O)C)O)C=O |
| InChIKey | STPHTBJNRRRPNU-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 3-formyl-4,6-dihydroxy-2,5-dimethyl-, methyl ester (CAS 34874-76-5), with molecular formula C11H12O5 and molecular weight 224.07 g/mol. IUPAC: methyl 5-formyl-2,4-dihydroxy-3,6-dimethylbenzoate.
Chemical Property Profile of Benzoic acid, 3-formyl-4,6-dihydroxy-2,5-dimethyl-, methyl ester
Property Insights of Benzoic acid, 3-formyl-4,6-dihydroxy-2,5-dimethyl-, methyl ester
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 3-formyl-4,6-dihydroxy-2,5-dimethyl-, methyl ester. The TPSA of 83.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 3-formyl-4,6-dihydroxy-2,5-dimethyl-, methyl ester. Following Lipinski's Rule of Five, Benzoic acid, 3-formyl-4,6-dihydroxy-2,5-dimethyl-, methyl ester has 2 hydrogen bond donor(s) and 5 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 Benzoic acid, 3-formyl-4,6-dihydroxy-2,5-dimethyl-, methyl ester?
The CAS number of Benzoic acid, 3-formyl-4,6-dihydroxy-2,5-dimethyl-, methyl ester is 34874-76-5.
What is the molecular formula of Benzoic acid, 3-formyl-4,6-dihydroxy-2,5-dimethyl-, methyl ester?
The molecular formula of Benzoic acid, 3-formyl-4,6-dihydroxy-2,5-dimethyl-, methyl ester is C11H12O5.
What is the molecular weight of Benzoic acid, 3-formyl-4,6-dihydroxy-2,5-dimethyl-, methyl ester?
The molecular weight of Benzoic acid, 3-formyl-4,6-dihydroxy-2,5-dimethyl-, methyl ester is 224.07 g/mol.
Where can I buy Benzoic acid, 3-formyl-4,6-dihydroxy-2,5-dimethyl-, methyl ester?
You can request a quote for Benzoic acid, 3-formyl-4,6-dihydroxy-2,5-dimethyl-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 3-formyl-4,6-dihydroxy-2,5-dimethyl-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 3-formyl-4,6-dihydroxy-2,5-dimethyl-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.