Dimethyl 4,5-dimethoxyphthalate
TL;DR: Dimethyl 4,5-dimethoxyphthalate (CAS 17078-61-4) is a chemical compound with molecular formula C12H14O6 and molecular weight 254.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 4,5-dimethoxybenzene-1,2-dicarboxylate
Also Known As: Dimethyl 4,5-dimethoxyphthalate, Dimethyl4,5-dimethoxyphthalate, Dimethyl 4,5-dimethoxybenzene-1,2-dicarboxylate, 4,5-Dimethoxyphthalic acid dimethyl ester, Dimethyl 4,5-dimethoxyphthalate #
| Molecular Formula | C12H14O6 |
|---|---|
| Molecular Weight | 254.08 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 254.07904 |
| Heavy Atoms | 18 |
| Complexity | 273.0 |
Chemical Identifiers
| CAS Number | 17078-61-4 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)C(=O)OC)C(=O)OC)OC |
| InChIKey | LMIKVZNWYNPYEZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dimethyl 4,5-dimethoxyphthalate (CAS 17078-61-4), with molecular formula C12H14O6 and molecular weight 254.08 g/mol. IUPAC: dimethyl 4,5-dimethoxybenzene-1,2-dicarboxylate.
Chemical Property Profile of Dimethyl 4,5-dimethoxyphthalate
Property Insights of Dimethyl 4,5-dimethoxyphthalate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 4,5-dimethoxyphthalate. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 4,5-dimethoxyphthalate. Following Lipinski's Rule of Five, Dimethyl 4,5-dimethoxyphthalate has 0 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-dimethoxyphthalate?
The CAS number of Dimethyl 4,5-dimethoxyphthalate is 17078-61-4.
What is the molecular formula of Dimethyl 4,5-dimethoxyphthalate?
The molecular formula of Dimethyl 4,5-dimethoxyphthalate is C12H14O6.
What is the molecular weight of Dimethyl 4,5-dimethoxyphthalate?
The molecular weight of Dimethyl 4,5-dimethoxyphthalate is 254.08 g/mol.
Where can I buy Dimethyl 4,5-dimethoxyphthalate?
You can request a quote for Dimethyl 4,5-dimethoxyphthalate 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-dimethoxyphthalate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 4,5-dimethoxyphthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.