Dimethyl 3,6-dimethylphthalate
TL;DR: Dimethyl 3,6-dimethylphthalate (CAS 37902-49-1) is a chemical compound with molecular formula C12H14O4 and molecular weight 222.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 3,6-dimethylbenzene-1,2-dicarboxylate
Also Known As: dimethyl 3,6-dimethylphthalate, 3,6-Dimethylphthalsaeure-dimethylester, dimethyl 3,6-dimethylbenzene-1,2-dicarboxylate, 3,6-dimethyl-benzene-1,2-dicarboxylic acid dimethyl ester
| Molecular Formula | C12H14O4 |
|---|---|
| Molecular Weight | 222.09 g/mol |
| LogP | 1.87664 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 222.0892 |
| Heavy Atoms | 16 |
| Complexity | 393.89005 |
Chemical Identifiers
| CAS Number | 37902-49-1 |
|---|---|
| SMILES | CC1=C(C(=C(C=C1)C)C(=O)OC)C(=O)OC |
Product Overview
Dimethyl 3,6-dimethylphthalate (CAS 37902-49-1), with molecular formula C12H14O4 and molecular weight 222.09 g/mol. IUPAC: dimethyl 3,6-dimethylbenzene-1,2-dicarboxylate.
Chemical Property Profile of Dimethyl 3,6-dimethylphthalate
Property Insights of Dimethyl 3,6-dimethylphthalate
The XLogP value of 1.87664 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 3,6-dimethylphthalate. With a topological polar surface area (TPSA) of 52.6 Ų, Dimethyl 3,6-dimethylphthalate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl 3,6-dimethylphthalate has 0 hydrogen bond donor(s) and 4 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-dimethylphthalate?
The CAS number of Dimethyl 3,6-dimethylphthalate is 37902-49-1.
What is the molecular formula of Dimethyl 3,6-dimethylphthalate?
The molecular formula of Dimethyl 3,6-dimethylphthalate is C12H14O4.
What is the molecular weight of Dimethyl 3,6-dimethylphthalate?
The molecular weight of Dimethyl 3,6-dimethylphthalate is 222.09 g/mol.
Where can I buy Dimethyl 3,6-dimethylphthalate?
You can request a quote for Dimethyl 3,6-dimethylphthalate 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-dimethylphthalate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 3,6-dimethylphthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.