Carbonic acid, 2-((4-(1,1-dimethylethyl)benzoyl)methylamino)phenyl ethyl ester
TL;DR: Carbonic acid, 2-((4-(1,1-dimethylethyl)benzoyl)methylamino)phenyl ethyl ester (CAS 80468-16-2) is a chemical compound with molecular formula C21H25NO4 and molecular weight 355.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(4-tert-butylbenzoyl)-methylamino]phenyl] ethyl carbonate
Also Known As: Carbonic acid, 2-((4-(1,1-dimethylethyl)benzoyl)methylamino)phenyl ethyl ester, [2-[(4-tert-butylbenzoyl)-methylamino]phenyl] ethyl carbonate, 2-(4-tert-Butyl-N-methylbenzamido)phenyl ethyl carbonate, ETHYL [2-[METHYL-(4-TERT-BUTYLBENZOYL)AMINO]PHENYL] CARBONATE
| Molecular Formula | C21H25NO4 |
|---|---|
| Molecular Weight | 355.18 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 355.17834 |
| Heavy Atoms | 26 |
| Complexity | 477.0 |
Chemical Identifiers
| CAS Number | 80468-16-2 |
|---|---|
| SMILES | CCOC(=O)OC1=CC=CC=C1N(C)C(=O)C2=CC=C(C=C2)C(C)(C)C |
| InChIKey | XMUBYMGNXWIGKZ-UHFFFAOYSA-N |
Product Overview
Carbonic acid, 2-((4-(1,1-dimethylethyl)benzoyl)methylamino)phenyl ethyl ester (CAS 80468-16-2), with molecular formula C21H25NO4 and molecular weight 355.18 g/mol. IUPAC: [2-[(4-tert-butylbenzoyl)-methylamino]phenyl] ethyl carbonate.
Chemical Property Profile of Carbonic acid, 2-((4-(1,1-dimethylethyl)benzoyl)methylamino)phenyl ethyl ester
Property Insights of Carbonic acid, 2-((4-(1,1-dimethylethyl)benzoyl)methylamino)phenyl ethyl ester
The XLogP value of 5.1 indicates that Carbonic acid, 2-((4-(1,1-dimethylethyl)benzoyl)methylamino)phenyl ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.8 Ų, Carbonic acid, 2-((4-(1,1-dimethylethyl)benzoyl)methylamino)phenyl ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbonic acid, 2-((4-(1,1-dimethylethyl)benzoyl)methylamino)phenyl ethyl ester has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Carbonic acid, 2-((4-(1,1-dimethylethyl)benzoyl)methylamino)phenyl ethyl ester?
The CAS number of Carbonic acid, 2-((4-(1,1-dimethylethyl)benzoyl)methylamino)phenyl ethyl ester is 80468-16-2.
What is the molecular formula of Carbonic acid, 2-((4-(1,1-dimethylethyl)benzoyl)methylamino)phenyl ethyl ester?
The molecular formula of Carbonic acid, 2-((4-(1,1-dimethylethyl)benzoyl)methylamino)phenyl ethyl ester is C21H25NO4.
What is the molecular weight of Carbonic acid, 2-((4-(1,1-dimethylethyl)benzoyl)methylamino)phenyl ethyl ester?
The molecular weight of Carbonic acid, 2-((4-(1,1-dimethylethyl)benzoyl)methylamino)phenyl ethyl ester is 355.18 g/mol.
Where can I buy Carbonic acid, 2-((4-(1,1-dimethylethyl)benzoyl)methylamino)phenyl ethyl ester?
You can request a quote for Carbonic acid, 2-((4-(1,1-dimethylethyl)benzoyl)methylamino)phenyl ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbonic acid, 2-((4-(1,1-dimethylethyl)benzoyl)methylamino)phenyl ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbonic acid, 2-((4-(1,1-dimethylethyl)benzoyl)methylamino)phenyl ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.