Dimethyl 4-dimethylaminophthalate
TL;DR: Dimethyl 4-dimethylaminophthalate (CAS 39617-05-5) is a chemical compound with molecular formula C12H15NO4 and molecular weight 237.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 4-(dimethylamino)benzene-1,2-dicarboxylate
Also Known As: Dimethyl 4-dimethylaminophthalate, EINECS 254-544-0, dimethyl 4-(dimethylamino)phthalate, dimethyl 4-(dimethylamino)benzene-1,2-dicarboxylate, 4-dimethylamino-phthalic acid dimethyl ester
| Molecular Formula | C12H15NO4 |
|---|---|
| Molecular Weight | 237.10 g/mol |
| LogP | 1.3258 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 237.10011 |
| Heavy Atoms | 17 |
| Complexity | 440.1318 |
Chemical Identifiers
| CAS Number | 39617-05-5 |
|---|---|
| SMILES | CN(C)C1=CC(=C(C=C1)C(=O)OC)C(=O)OC |
Product Overview
Dimethyl 4-dimethylaminophthalate (CAS 39617-05-5), with molecular formula C12H15NO4 and molecular weight 237.10 g/mol. IUPAC: dimethyl 4-(dimethylamino)benzene-1,2-dicarboxylate.
Chemical Property Profile of Dimethyl 4-dimethylaminophthalate
Property Insights of Dimethyl 4-dimethylaminophthalate
The XLogP value of 1.3258 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 4-dimethylaminophthalate. With a topological polar surface area (TPSA) of 55.84 Ų, Dimethyl 4-dimethylaminophthalate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl 4-dimethylaminophthalate has 0 hydrogen bond donor(s) and 5 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-dimethylaminophthalate?
The CAS number of Dimethyl 4-dimethylaminophthalate is 39617-05-5.
What is the molecular formula of Dimethyl 4-dimethylaminophthalate?
The molecular formula of Dimethyl 4-dimethylaminophthalate is C12H15NO4.
What is the molecular weight of Dimethyl 4-dimethylaminophthalate?
The molecular weight of Dimethyl 4-dimethylaminophthalate is 237.10 g/mol.
Where can I buy Dimethyl 4-dimethylaminophthalate?
You can request a quote for Dimethyl 4-dimethylaminophthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 4-dimethylaminophthalate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 4-dimethylaminophthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.