Dimethyl benzenedicarboxylate
TL;DR: Dimethyl benzenedicarboxylate (CAS 26638-01-7) is a chemical compound with molecular formula C30H30O12 and molecular weight 582.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl benzene-1,2-dicarboxylate;dimethyl benzene-1,3-dicarboxylate;dimethyl benzene-1,4-dicarboxylate
Also Known As: DIMETHYL BENZENEDICARBOXYLATE, dimethyl benzene-1,2-dicarboxylate; dimethyl benzene-1,3-dicarboxylate; dimethyl benzene-1,4-dicarboxylate
| Molecular Formula | C30H30O12 |
|---|---|
| Molecular Weight | 582.17 g/mol |
| LogP | 3.78 |
| Topological Polar Surface Area | 158.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 12 |
| Exact Mass | 582.1737 |
| Heavy Atoms | 42 |
| Complexity | 594.0 |
Chemical Identifiers
| CAS Number | 26638-01-7 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)C(=O)OC.COC(=O)C1=CC(=CC=C1)C(=O)OC.COC(=O)C1=CC=CC=C1C(=O)OC |
| InChIKey | LYMMFQAKPGXADS-UHFFFAOYSA-N |
Product Overview
Dimethyl benzenedicarboxylate (CAS 26638-01-7), with molecular formula C30H30O12 and molecular weight 582.17 g/mol. IUPAC: dimethyl benzene-1,2-dicarboxylate;dimethyl benzene-1,3-dicarboxylate;dimethyl benzene-1,4-dicarboxylate.
Chemical Property Profile of Dimethyl benzenedicarboxylate
Property Insights of Dimethyl benzenedicarboxylate
The XLogP value of 3.78 indicates that Dimethyl benzenedicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 158.0 Ų indicates high polarity, suggesting Dimethyl benzenedicarboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dimethyl benzenedicarboxylate has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dimethyl benzenedicarboxylate?
The CAS number of Dimethyl benzenedicarboxylate is 26638-01-7.
What is the molecular formula of Dimethyl benzenedicarboxylate?
The molecular formula of Dimethyl benzenedicarboxylate is C30H30O12.
What is the molecular weight of Dimethyl benzenedicarboxylate?
The molecular weight of Dimethyl benzenedicarboxylate is 582.17 g/mol.
Where can I buy Dimethyl benzenedicarboxylate?
You can request a quote for Dimethyl benzenedicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl benzenedicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl benzenedicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.