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Methyl [2-(4-tert-butylphenoxy)ethyl]carbamate
TL;DR: Methyl [2-(4-tert-butylphenoxy)ethyl]carbamate (CAS 690668-81-6) is a chemical compound with molecular formula C14H21NO3 and molecular weight 251.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-[2-(4-tert-butylphenoxy)ethyl]carbamate
Also Known As: methyl [2-(4-tert-butylphenoxy)ethyl]carbamate, methyl N-[2-(4-tert-butylphenoxy)ethyl]carbamate, Methyl 2-(4-tert-butylphenoxy)ethylcarbamate, Methyl(2-(4-(tert-butyl)phenoxy)ethyl)carbamate, Methyl (2-(4-(tert-butyl)phenoxy)ethyl)carbamate
| Molecular Formula | C14H21NO3 |
|---|---|
| Molecular Weight | 251.15 g/mol |
| LogP | 2.7189 |
| Topological Polar Surface Area | 47.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 251.15215 |
| Heavy Atoms | 18 |
| Complexity | 379.02072 |
Chemical Identifiers
| CAS Number | 690668-81-6 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)OCCNC(=O)OC |
Product Overview
Methyl [2-(4-tert-butylphenoxy)ethyl]carbamate (CAS 690668-81-6), with molecular formula C14H21NO3 and molecular weight 251.15 g/mol. IUPAC: methyl N-[2-(4-tert-butylphenoxy)ethyl]carbamate.
Chemical Property Profile of Methyl [2-(4-tert-butylphenoxy)ethyl]carbamate
Property Insights of Methyl [2-(4-tert-butylphenoxy)ethyl]carbamate
The XLogP value of 2.7189 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl [2-(4-tert-butylphenoxy)ethyl]carbamate. With a topological polar surface area (TPSA) of 47.56 Ų, Methyl [2-(4-tert-butylphenoxy)ethyl]carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl [2-(4-tert-butylphenoxy)ethyl]carbamate has 1 hydrogen bond donor(s) and 3 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 Methyl [2-(4-tert-butylphenoxy)ethyl]carbamate?
The CAS number of Methyl [2-(4-tert-butylphenoxy)ethyl]carbamate is 690668-81-6.
What is the molecular formula of Methyl [2-(4-tert-butylphenoxy)ethyl]carbamate?
The molecular formula of Methyl [2-(4-tert-butylphenoxy)ethyl]carbamate is C14H21NO3.
What is the molecular weight of Methyl [2-(4-tert-butylphenoxy)ethyl]carbamate?
The molecular weight of Methyl [2-(4-tert-butylphenoxy)ethyl]carbamate is 251.15 g/mol.
Where can I buy Methyl [2-(4-tert-butylphenoxy)ethyl]carbamate?
You can request a quote for Methyl [2-(4-tert-butylphenoxy)ethyl]carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl [2-(4-tert-butylphenoxy)ethyl]carbamate?
Yes, KEHONG BIO provides custom synthesis services for Methyl [2-(4-tert-butylphenoxy)ethyl]carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.