Dimethyl 2-acetamidoterephthalate
TL;DR: Dimethyl 2-acetamidoterephthalate (CAS 102630-62-6) is a chemical compound with molecular formula C12H13NO5 and molecular weight 251.07938 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
dimethyl 2-acetamidobenzene-1,4-dicarboxylate
Also Known As: dimethyl 2-acetamidoterephthalate, dimethyl 2-(acetylamino)terephthalate, dimethyl 2-acetamidobenzene-1,4-dicarboxylate, 2-Acetylamino-terephthalic acid dimethyl ester, BAS 00294812
Technical Specifications
| Molecular Formula | C12H13NO5 |
| Molecular Weight | 251.07938 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 251.07938 Da |
| Heavy Atoms | 18 |
| Complexity | 341.0 |
| SMILES | CC(=O)NC1=C(C=CC(=C1)C(=O)OC)C(=O)OC |
| InChIKey | RBUKAETXQLGLGD-UHFFFAOYSA-N |
Chemical Property Profile of Dimethyl 2-acetamidoterephthalate
Property Insights of Dimethyl 2-acetamidoterephthalate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 2-acetamidoterephthalate. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 2-acetamidoterephthalate. Following Lipinski's Rule of Five, Dimethyl 2-acetamidoterephthalate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Dimethyl 2-acetamidoterephthalate?
The CAS number of Dimethyl 2-acetamidoterephthalate is 102630-62-6.
What is the molecular formula of Dimethyl 2-acetamidoterephthalate?
The molecular formula of Dimethyl 2-acetamidoterephthalate is C12H13NO5.
What is the molecular weight of Dimethyl 2-acetamidoterephthalate?
The molecular weight of Dimethyl 2-acetamidoterephthalate is 251.07938 g/mol.
Where can I buy Dimethyl 2-acetamidoterephthalate?
You can request a quote for Dimethyl 2-acetamidoterephthalate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Dimethyl 2-acetamidoterephthalate?
Yes, CoreyChem provides custom synthesis services for Dimethyl 2-acetamidoterephthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.