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Dimethyl 2-[(4-tert-butylbenzoyl)amino]terephthalate
TL;DR: Dimethyl 2-[(4-tert-butylbenzoyl)amino]terephthalate (CAS 280774-06-3) is a chemical compound with molecular formula C21H23NO5 and molecular weight 369.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-[(4-tert-butylbenzoyl)amino]benzene-1,4-dicarboxylate
Also Known As: dimethyl 2-[(4-tert-butylbenzoyl)amino]terephthalate, AO-548/40326691, 1,4-Dimethyl 2-[[4-(1,1-dimethylethyl)benzoyl]amino]-1,4-benzenedicarboxylate, dimethyl 2-[(4-tert-butylbenzoyl)amino]benzene-1,4-dicarboxylate, 2-(4-tert-Butylbenzoyl)aminoterephthalic acid dimethyl ester
| Molecular Formula | C21H23NO5 |
|---|---|
| Molecular Weight | 369.16 g/mol |
| LogP | 3.8096 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 369.15762 |
| Heavy Atoms | 27 |
| Complexity | 863.131 |
Chemical Identifiers
| CAS Number | 280774-06-3 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)OC)C(=O)OC |
Product Overview
Dimethyl 2-[(4-tert-butylbenzoyl)amino]terephthalate (CAS 280774-06-3), with molecular formula C21H23NO5 and molecular weight 369.16 g/mol. IUPAC: dimethyl 2-[(4-tert-butylbenzoyl)amino]benzene-1,4-dicarboxylate.
Chemical Property Profile of Dimethyl 2-[(4-tert-butylbenzoyl)amino]terephthalate
Property Insights of Dimethyl 2-[(4-tert-butylbenzoyl)amino]terephthalate
The XLogP value of 3.8096 indicates that Dimethyl 2-[(4-tert-butylbenzoyl)amino]terephthalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 2-[(4-tert-butylbenzoyl)amino]terephthalate. Following Lipinski's Rule of Five, Dimethyl 2-[(4-tert-butylbenzoyl)amino]terephthalate 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
Frequently Asked Questions
What is the CAS number of Dimethyl 2-[(4-tert-butylbenzoyl)amino]terephthalate?
The CAS number of Dimethyl 2-[(4-tert-butylbenzoyl)amino]terephthalate is 280774-06-3.
What is the molecular formula of Dimethyl 2-[(4-tert-butylbenzoyl)amino]terephthalate?
The molecular formula of Dimethyl 2-[(4-tert-butylbenzoyl)amino]terephthalate is C21H23NO5.
What is the molecular weight of Dimethyl 2-[(4-tert-butylbenzoyl)amino]terephthalate?
The molecular weight of Dimethyl 2-[(4-tert-butylbenzoyl)amino]terephthalate is 369.16 g/mol.
Where can I buy Dimethyl 2-[(4-tert-butylbenzoyl)amino]terephthalate?
You can request a quote for Dimethyl 2-[(4-tert-butylbenzoyl)amino]terephthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 2-[(4-tert-butylbenzoyl)amino]terephthalate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2-[(4-tert-butylbenzoyl)amino]terephthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.