Phenylacetic acid, 2-methoxycarbonyl-4-carboxy-3,5-dihydroxy-, methyl ester
TL;DR: Phenylacetic acid, 2-methoxycarbonyl-4-carboxy-3,5-dihydroxy-, methyl ester (CAS 6121-79-5) is a chemical compound with molecular formula C12H12O8 and molecular weight 284.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-dihydroxy-3-methoxycarbonyl-4-(2-methoxy-2-oxoethyl)benzoic acid
Also Known As: dimethyl 4-carboxy-3,5-dihydroxyhomophthalate, J3.010.711J, Phenylacetic acid, 2-methoxycarbonyl-4-carboxy-3,5-dihydroxy-, methyl ester, 2,6-Dihydroxy-3-(methoxycarbonyl)-4-(2-methoxy-2-oxoethyl)benzoic acid, 2,6-Dihydroxy-3-(methoxycarbonyl)-4-(2-methoxy-2-oxoethyl)benzoic acid #
| Molecular Formula | C12H12O8 |
|---|---|
| Molecular Weight | 284.05 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 130.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 284.05322 |
| Heavy Atoms | 20 |
| Complexity | 393.0 |
Chemical Identifiers
| CAS Number | 6121-79-5 |
|---|---|
| SMILES | COC(=O)CC1=CC(=C(C(=C1C(=O)OC)O)C(=O)O)O |
| InChIKey | CFQLTPLPHPDMDW-UHFFFAOYSA-N |
Product Overview
Phenylacetic acid, 2-methoxycarbonyl-4-carboxy-3,5-dihydroxy-, methyl ester (CAS 6121-79-5), with molecular formula C12H12O8 and molecular weight 284.05 g/mol. IUPAC: 2,6-dihydroxy-3-methoxycarbonyl-4-(2-methoxy-2-oxoethyl)benzoic acid.
Chemical Property Profile of Phenylacetic acid, 2-methoxycarbonyl-4-carboxy-3,5-dihydroxy-, methyl ester
Property Insights of Phenylacetic acid, 2-methoxycarbonyl-4-carboxy-3,5-dihydroxy-, methyl ester
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenylacetic acid, 2-methoxycarbonyl-4-carboxy-3,5-dihydroxy-, methyl ester. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenylacetic acid, 2-methoxycarbonyl-4-carboxy-3,5-dihydroxy-, methyl ester. Following Lipinski's Rule of Five, Phenylacetic acid, 2-methoxycarbonyl-4-carboxy-3,5-dihydroxy-, methyl ester has 3 hydrogen bond donor(s) and 8 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 Phenylacetic acid, 2-methoxycarbonyl-4-carboxy-3,5-dihydroxy-, methyl ester?
The CAS number of Phenylacetic acid, 2-methoxycarbonyl-4-carboxy-3,5-dihydroxy-, methyl ester is 6121-79-5.
What is the molecular formula of Phenylacetic acid, 2-methoxycarbonyl-4-carboxy-3,5-dihydroxy-, methyl ester?
The molecular formula of Phenylacetic acid, 2-methoxycarbonyl-4-carboxy-3,5-dihydroxy-, methyl ester is C12H12O8.
What is the molecular weight of Phenylacetic acid, 2-methoxycarbonyl-4-carboxy-3,5-dihydroxy-, methyl ester?
The molecular weight of Phenylacetic acid, 2-methoxycarbonyl-4-carboxy-3,5-dihydroxy-, methyl ester is 284.05 g/mol.
Where can I buy Phenylacetic acid, 2-methoxycarbonyl-4-carboxy-3,5-dihydroxy-, methyl ester?
You can request a quote for Phenylacetic acid, 2-methoxycarbonyl-4-carboxy-3,5-dihydroxy-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenylacetic acid, 2-methoxycarbonyl-4-carboxy-3,5-dihydroxy-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phenylacetic acid, 2-methoxycarbonyl-4-carboxy-3,5-dihydroxy-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.