Phenyl (4-(tert-butyl)phenyl)carbamate
TL;DR: Phenyl (4-(tert-butyl)phenyl)carbamate (CAS 501102-81-4) is a chemical compound with molecular formula C17H19NO2 and molecular weight 269.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl N-(4-tert-butylphenyl)carbamate
Also Known As: phenyl N-(4-tert-butylphenyl)carbamate, phenyl (4-(tert-butyl)phenyl)carbamate
| Molecular Formula | C17H19NO2 |
|---|---|
| Molecular Weight | 269.14 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 269.14157 |
| Heavy Atoms | 20 |
| Complexity | 307.0 |
Chemical Identifiers
| CAS Number | 501102-81-4 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)NC(=O)OC2=CC=CC=C2 |
| InChIKey | OJZJVFSXQNGKBQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenyl (4-(tert-butyl)phenyl)carbamate (CAS 501102-81-4), with molecular formula C17H19NO2 and molecular weight 269.14 g/mol. IUPAC: phenyl N-(4-tert-butylphenyl)carbamate.
Chemical Property Profile of Phenyl (4-(tert-butyl)phenyl)carbamate
Property Insights of Phenyl (4-(tert-butyl)phenyl)carbamate
The XLogP value of 5.0 indicates that Phenyl (4-(tert-butyl)phenyl)carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, Phenyl (4-(tert-butyl)phenyl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenyl (4-(tert-butyl)phenyl)carbamate has 1 hydrogen bond donor(s) and 2 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 Phenyl (4-(tert-butyl)phenyl)carbamate?
The CAS number of Phenyl (4-(tert-butyl)phenyl)carbamate is 501102-81-4.
What is the molecular formula of Phenyl (4-(tert-butyl)phenyl)carbamate?
The molecular formula of Phenyl (4-(tert-butyl)phenyl)carbamate is C17H19NO2.
What is the molecular weight of Phenyl (4-(tert-butyl)phenyl)carbamate?
The molecular weight of Phenyl (4-(tert-butyl)phenyl)carbamate is 269.14 g/mol.
Where can I buy Phenyl (4-(tert-butyl)phenyl)carbamate?
You can request a quote for Phenyl (4-(tert-butyl)phenyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl (4-(tert-butyl)phenyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for Phenyl (4-(tert-butyl)phenyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.