Carbonic acid, 2-((4-(1,1-dimethylethyl)benzoyl)methylamino)phenyl phenyl ester
TL;DR: Carbonic acid, 2-((4-(1,1-dimethylethyl)benzoyl)methylamino)phenyl phenyl ester (CAS 80468-21-9) is a chemical compound with molecular formula C25H25NO4 and molecular weight 403.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(4-tert-butylbenzoyl)-methylamino]phenyl] phenyl carbonate
Also Known As: [2-[methyl- amino]phenyl]phenylcarbonate|Carbonic acid, 2-((4-(1,1-dimethylethyl)benzoyl)methylamino)phenyl phenyl ester|[2-[(4-tert-butylbenzoyl)-methylamino]phenyl] phenyl carbonate|2-(4-tert-Butyl-N-methylbenzamido)phenyl phenyl carbonate
| Molecular Formula | C25H25NO4 |
|---|---|
| Molecular Weight | 403.18 g/mol |
| LogP | 6.3 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 403.17834 |
| Heavy Atoms | 30 |
| Complexity | 570.0 |
Chemical Identifiers
| CAS Number | 80468-21-9 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)N(C)C2=CC=CC=C2OC(=O)OC3=CC=CC=C3 |
| InChIKey | VUQGHADVOJMBSU-UHFFFAOYSA-N |
Product Overview
Carbonic acid, 2-((4-(1,1-dimethylethyl)benzoyl)methylamino)phenyl phenyl ester (CAS 80468-21-9), with molecular formula C25H25NO4 and molecular weight 403.18 g/mol. IUPAC: [2-[(4-tert-butylbenzoyl)-methylamino]phenyl] phenyl carbonate.
Chemical Property Profile of Carbonic acid, 2-((4-(1,1-dimethylethyl)benzoyl)methylamino)phenyl phenyl ester
Property Insights of Carbonic acid, 2-((4-(1,1-dimethylethyl)benzoyl)methylamino)phenyl phenyl ester
The XLogP value of 6.3 indicates that Carbonic acid, 2-((4-(1,1-dimethylethyl)benzoyl)methylamino)phenyl phenyl 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 phenyl 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 phenyl 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 phenyl ester?
The CAS number of Carbonic acid, 2-((4-(1,1-dimethylethyl)benzoyl)methylamino)phenyl phenyl ester is 80468-21-9.
What is the molecular formula of Carbonic acid, 2-((4-(1,1-dimethylethyl)benzoyl)methylamino)phenyl phenyl ester?
The molecular formula of Carbonic acid, 2-((4-(1,1-dimethylethyl)benzoyl)methylamino)phenyl phenyl ester is C25H25NO4.
What is the molecular weight of Carbonic acid, 2-((4-(1,1-dimethylethyl)benzoyl)methylamino)phenyl phenyl ester?
The molecular weight of Carbonic acid, 2-((4-(1,1-dimethylethyl)benzoyl)methylamino)phenyl phenyl ester is 403.18 g/mol.
Where can I buy Carbonic acid, 2-((4-(1,1-dimethylethyl)benzoyl)methylamino)phenyl phenyl ester?
You can request a quote for Carbonic acid, 2-((4-(1,1-dimethylethyl)benzoyl)methylamino)phenyl phenyl 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 phenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbonic acid, 2-((4-(1,1-dimethylethyl)benzoyl)methylamino)phenyl phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.