Methyl 4-dimethylaminobenzoate
TL;DR: Methyl 4-dimethylaminobenzoate (CAS 1202-25-1) is a chemical compound with molecular formula C10H13NO2 and molecular weight 179.09464 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 4-(dimethylamino)benzoate
Also Known As: Methyl 4-(dimethylamino)benzoate, Methyl 4-dimethylaminobenzoate, Benzoic acid, 4-(dimethylamino)-, methyl ester, Vitamin D2 Impurity 2, Benzoic acid, methyl ester
Application Areas
Top 5 of 16 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H13NO2 |
| Molecular Weight | 179.09464 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 179.09464 Da |
| Heavy Atoms | 13 |
| Complexity | 172.0 |
| SMILES | CN(C)C1=CC=C(C=C1)C(=O)OC |
| InChIKey | DBQGARDMYOMOOS-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 4-dimethylaminobenzoate
Property Insights of Methyl 4-dimethylaminobenzoate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-dimethylaminobenzoate. With a topological polar surface area (TPSA) of 29.5 Ų, Methyl 4-dimethylaminobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-dimethylaminobenzoate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Methyl 4-dimethylaminobenzoate?
The CAS number of Methyl 4-dimethylaminobenzoate is 1202-25-1.
What is the molecular formula of Methyl 4-dimethylaminobenzoate?
The molecular formula of Methyl 4-dimethylaminobenzoate is C10H13NO2.
What is the molecular weight of Methyl 4-dimethylaminobenzoate?
The molecular weight of Methyl 4-dimethylaminobenzoate is 179.09464 g/mol.
Where can I buy Methyl 4-dimethylaminobenzoate?
You can request a quote for Methyl 4-dimethylaminobenzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 4-dimethylaminobenzoate?
Yes, CoreyChem provides custom synthesis services for Methyl 4-dimethylaminobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.