1,2-Benzenedicarboxylic acid, 3-hydroxy-6-phenoxy-, dimethyl ester
TL;DR: 1,2-Benzenedicarboxylic acid, 3-hydroxy-6-phenoxy-, dimethyl ester (CAS 69836-72-2) is a chemical compound with molecular formula C16H14O6 and molecular weight 302.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 3-hydroxy-6-phenoxybenzene-1,2-dicarboxylate
Also Known As: dimethyl 3-hydroxy-6-phenoxyphthalate, dimethyl 3-hydroxy-6-phenoxybenzene-1,2-dicarboxylate, 1,2-Benzenedicarboxylic acid, 3-hydroxy-6-phenoxy-, dimethyl ester, AH-262/08501020, RefChem:215478
| Molecular Formula | C16H14O6 |
|---|---|
| Molecular Weight | 302.08 g/mol |
| LogP | 2.7577 |
| Topological Polar Surface Area | 82.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 302.07904 |
| Heavy Atoms | 22 |
| Complexity | 693.2823 |
Chemical Identifiers
| CAS Number | 69836-72-2 |
|---|---|
| SMILES | COC(=O)C1=C(C=CC(=C1C(=O)OC)OC2=CC=CC=C2)O |
Product Overview
1,2-Benzenedicarboxylic acid, 3-hydroxy-6-phenoxy-, dimethyl ester (CAS 69836-72-2), with molecular formula C16H14O6 and molecular weight 302.08 g/mol. IUPAC: dimethyl 3-hydroxy-6-phenoxybenzene-1,2-dicarboxylate.
Chemical Property Profile of 1,2-Benzenedicarboxylic acid, 3-hydroxy-6-phenoxy-, dimethyl ester
Property Insights of 1,2-Benzenedicarboxylic acid, 3-hydroxy-6-phenoxy-, dimethyl ester
The XLogP value of 2.7577 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Benzenedicarboxylic acid, 3-hydroxy-6-phenoxy-, dimethyl ester. The TPSA of 82.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Benzenedicarboxylic acid, 3-hydroxy-6-phenoxy-, dimethyl ester. Following Lipinski's Rule of Five, 1,2-Benzenedicarboxylic acid, 3-hydroxy-6-phenoxy-, dimethyl ester has 1 hydrogen bond donor(s) and 6 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 1,2-Benzenedicarboxylic acid, 3-hydroxy-6-phenoxy-, dimethyl ester?
The CAS number of 1,2-Benzenedicarboxylic acid, 3-hydroxy-6-phenoxy-, dimethyl ester is 69836-72-2.
What is the molecular formula of 1,2-Benzenedicarboxylic acid, 3-hydroxy-6-phenoxy-, dimethyl ester?
The molecular formula of 1,2-Benzenedicarboxylic acid, 3-hydroxy-6-phenoxy-, dimethyl ester is C16H14O6.
What is the molecular weight of 1,2-Benzenedicarboxylic acid, 3-hydroxy-6-phenoxy-, dimethyl ester?
The molecular weight of 1,2-Benzenedicarboxylic acid, 3-hydroxy-6-phenoxy-, dimethyl ester is 302.08 g/mol.
Where can I buy 1,2-Benzenedicarboxylic acid, 3-hydroxy-6-phenoxy-, dimethyl ester?
You can request a quote for 1,2-Benzenedicarboxylic acid, 3-hydroxy-6-phenoxy-, dimethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Benzenedicarboxylic acid, 3-hydroxy-6-phenoxy-, dimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Benzenedicarboxylic acid, 3-hydroxy-6-phenoxy-, dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.