Dimethyl 4,5-dihydroxyphthalate
TL;DR: Dimethyl 4,5-dihydroxyphthalate (CAS 20035-53-4) is a chemical compound with molecular formula C10H10O6 and molecular weight 226.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 4,5-dihydroxybenzene-1,2-dicarboxylate
Also Known As: dimethyl 4,5-dihydroxyphthalate, dimethyl 4,5-dihydroxybenzene-1,2-dicarboxylate, Dimethyl 45-dihydroxyphthalate, dimethyl4,5-dihydroxyphthalate, Dimethyl 4 pound not5-dihydroxyphthalate
| Molecular Formula | C10H10O6 |
|---|---|
| Molecular Weight | 226.05 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 93.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 226.04774 |
| Heavy Atoms | 16 |
| Complexity | 248.0 |
Chemical Identifiers
| CAS Number | 20035-53-4 |
|---|---|
| SMILES | COC(=O)C1=CC(=C(C=C1C(=O)OC)O)O |
| InChIKey | FXPCZDQRACWUBW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dimethyl 4,5-dihydroxyphthalate (CAS 20035-53-4), with molecular formula C10H10O6 and molecular weight 226.05 g/mol. IUPAC: dimethyl 4,5-dihydroxybenzene-1,2-dicarboxylate.
Chemical Property Profile of Dimethyl 4,5-dihydroxyphthalate
Property Insights of Dimethyl 4,5-dihydroxyphthalate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 4,5-dihydroxyphthalate. The TPSA of 93.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 4,5-dihydroxyphthalate. Following Lipinski's Rule of Five, Dimethyl 4,5-dihydroxyphthalate has 2 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 Dimethyl 4,5-dihydroxyphthalate?
The CAS number of Dimethyl 4,5-dihydroxyphthalate is 20035-53-4.
What is the molecular formula of Dimethyl 4,5-dihydroxyphthalate?
The molecular formula of Dimethyl 4,5-dihydroxyphthalate is C10H10O6.
What is the molecular weight of Dimethyl 4,5-dihydroxyphthalate?
The molecular weight of Dimethyl 4,5-dihydroxyphthalate is 226.05 g/mol.
Where can I buy Dimethyl 4,5-dihydroxyphthalate?
You can request a quote for Dimethyl 4,5-dihydroxyphthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 4,5-dihydroxyphthalate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 4,5-dihydroxyphthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.