1,1-Diethyl-3-(m-hydroxyphenyl)tert-butylcarbamate (ester) urea
TL;DR: 1,1-Diethyl-3-(m-hydroxyphenyl)tert-butylcarbamate (ester) urea (CAS 73953-76-1) is a chemical compound with molecular formula C16H25N3O3 and molecular weight 307.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(diethylcarbamoylamino)phenyl] N-tert-butylcarbamate
Also Known As: m-(3,3-Diethylureido)phenyl tert-butylcarbamate, 1,1-Diethyl-3-(m-hydroxyphenyl)urea tert-butylcarbamate, [3-(diethylcarbamoylamino)phenyl] N-tert-butylcarbamate, Urea, 1,1-diethyl-3-(m-hydroxyphenyl)-, tert-butylcarbamate, Urea, 1,1-diethyl-3-(m-hydroxyphenyl)-, tert-butylcarbamate (ester)
| Molecular Formula | C16H25N3O3 |
|---|---|
| Molecular Weight | 307.19 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 70.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 307.1896 |
| Heavy Atoms | 22 |
| Complexity | 375.0 |
Chemical Identifiers
| CAS Number | 73953-76-1 |
|---|---|
| SMILES | CCN(CC)C(=O)NC1=CC(=CC=C1)OC(=O)NC(C)(C)C |
| InChIKey | HRCYVBMAOKHGQQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1-Diethyl-3-(m-hydroxyphenyl)tert-butylcarbamate (ester) urea (CAS 73953-76-1), with molecular formula C16H25N3O3 and molecular weight 307.19 g/mol. IUPAC: [3-(diethylcarbamoylamino)phenyl] N-tert-butylcarbamate.
Chemical Property Profile of 1,1-Diethyl-3-(m-hydroxyphenyl)tert-butylcarbamate (ester) urea
Property Insights of 1,1-Diethyl-3-(m-hydroxyphenyl)tert-butylcarbamate (ester) urea
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1-Diethyl-3-(m-hydroxyphenyl)tert-butylcarbamate (ester) urea. The TPSA of 70.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1-Diethyl-3-(m-hydroxyphenyl)tert-butylcarbamate (ester) urea. Following Lipinski's Rule of Five, 1,1-Diethyl-3-(m-hydroxyphenyl)tert-butylcarbamate (ester) urea has 2 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 1,1-Diethyl-3-(m-hydroxyphenyl)tert-butylcarbamate (ester) urea?
The CAS number of 1,1-Diethyl-3-(m-hydroxyphenyl)tert-butylcarbamate (ester) urea is 73953-76-1.
What is the molecular formula of 1,1-Diethyl-3-(m-hydroxyphenyl)tert-butylcarbamate (ester) urea?
The molecular formula of 1,1-Diethyl-3-(m-hydroxyphenyl)tert-butylcarbamate (ester) urea is C16H25N3O3.
What is the molecular weight of 1,1-Diethyl-3-(m-hydroxyphenyl)tert-butylcarbamate (ester) urea?
The molecular weight of 1,1-Diethyl-3-(m-hydroxyphenyl)tert-butylcarbamate (ester) urea is 307.19 g/mol.
Where can I buy 1,1-Diethyl-3-(m-hydroxyphenyl)tert-butylcarbamate (ester) urea?
You can request a quote for 1,1-Diethyl-3-(m-hydroxyphenyl)tert-butylcarbamate (ester) urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-Diethyl-3-(m-hydroxyphenyl)tert-butylcarbamate (ester) urea?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Diethyl-3-(m-hydroxyphenyl)tert-butylcarbamate (ester) urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.