dimethyl 3,6-dihydroxyphthalate
TL;DR: dimethyl 3,6-dihydroxyphthalate (CAS 7474-92-2) 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 3,6-dihydroxybenzene-1,2-dicarboxylate
Also Known As: dimethyl 3,6-dihydroxyphthalate, EX-A16656K, dimethyl 3,6-dihydroxybenzene-1,2-dicarboxylate, 3,6-Dihydroxyphthalic acid dimethyl ester, J1.016.135E
| Molecular Formula | C10H10O6 |
|---|---|
| Molecular Weight | 226.05 g/mol |
| LogP | 2.0 |
| 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 | 7474-92-2 |
|---|---|
| SMILES | COC(=O)C1=C(C=CC(=C1C(=O)OC)O)O |
| InChIKey | NVFVMNBLADPUFB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
dimethyl 3,6-dihydroxyphthalate (CAS 7474-92-2), with molecular formula C10H10O6 and molecular weight 226.05 g/mol. IUPAC: dimethyl 3,6-dihydroxybenzene-1,2-dicarboxylate.
Chemical Property Profile of dimethyl 3,6-dihydroxyphthalate
Property Insights of dimethyl 3,6-dihydroxyphthalate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for dimethyl 3,6-dihydroxyphthalate. The TPSA of 93.1 Ų falls within the moderate polarity range, balancing permeability and solubility for dimethyl 3,6-dihydroxyphthalate. Following Lipinski's Rule of Five, dimethyl 3,6-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 3,6-dihydroxyphthalate?
The CAS number of dimethyl 3,6-dihydroxyphthalate is 7474-92-2.
What is the molecular formula of dimethyl 3,6-dihydroxyphthalate?
The molecular formula of dimethyl 3,6-dihydroxyphthalate is C10H10O6.
What is the molecular weight of dimethyl 3,6-dihydroxyphthalate?
The molecular weight of dimethyl 3,6-dihydroxyphthalate is 226.05 g/mol.
Where can I buy dimethyl 3,6-dihydroxyphthalate?
You can request a quote for dimethyl 3,6-dihydroxyphthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for dimethyl 3,6-dihydroxyphthalate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl 3,6-dihydroxyphthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.