Urea, 1-tert-butyl-3-(m-hydroxyphenyl)-, tert-butylcarbamate (ester)
TL;DR: Urea, 1-tert-butyl-3-(m-hydroxyphenyl)-, tert-butylcarbamate (ester) (CAS 73953-68-1) 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-(tert-butylcarbamoylamino)phenyl] N-tert-butylcarbamate
Also Known As: Urea, tert-butylcarbamate, 1-tert-Butyl-3-(m-hydroxyphenyl)urea tert-butylcarbamate, m-(3-tert-Butylureido)phenyl tert-buthylcarbamate, Urea, 1-tert-butyl-3-(m-hydroxyphenyl)-, tert-butylcarbamate, 3-[(tert-butylcarbamoyl)amino]phenyl tert-butylcarbamate
| Molecular Formula | C16H25N3O3 |
|---|---|
| Molecular Weight | 307.19 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 79.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 307.1896 |
| Heavy Atoms | 22 |
| Complexity | 396.0 |
Chemical Identifiers
| CAS Number | 73953-68-1 |
|---|---|
| SMILES | CC(C)(C)NC(=O)NC1=CC(=CC=C1)OC(=O)NC(C)(C)C |
| InChIKey | MGBUMPMAIGRFDY-UHFFFAOYSA-N |
Product Overview
Urea, 1-tert-butyl-3-(m-hydroxyphenyl)-, tert-butylcarbamate (ester) (CAS 73953-68-1), with molecular formula C16H25N3O3 and molecular weight 307.19 g/mol. IUPAC: [3-(tert-butylcarbamoylamino)phenyl] N-tert-butylcarbamate.
Chemical Property Profile of Urea, 1-tert-butyl-3-(m-hydroxyphenyl)-, tert-butylcarbamate (ester)
Property Insights of Urea, 1-tert-butyl-3-(m-hydroxyphenyl)-, tert-butylcarbamate (ester)
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Urea, 1-tert-butyl-3-(m-hydroxyphenyl)-, tert-butylcarbamate (ester). The TPSA of 79.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Urea, 1-tert-butyl-3-(m-hydroxyphenyl)-, tert-butylcarbamate (ester). Following Lipinski's Rule of Five, Urea, 1-tert-butyl-3-(m-hydroxyphenyl)-, tert-butylcarbamate (ester) has 3 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 Urea, 1-tert-butyl-3-(m-hydroxyphenyl)-, tert-butylcarbamate (ester)?
The CAS number of Urea, 1-tert-butyl-3-(m-hydroxyphenyl)-, tert-butylcarbamate (ester) is 73953-68-1.
What is the molecular formula of Urea, 1-tert-butyl-3-(m-hydroxyphenyl)-, tert-butylcarbamate (ester)?
The molecular formula of Urea, 1-tert-butyl-3-(m-hydroxyphenyl)-, tert-butylcarbamate (ester) is C16H25N3O3.
What is the molecular weight of Urea, 1-tert-butyl-3-(m-hydroxyphenyl)-, tert-butylcarbamate (ester)?
The molecular weight of Urea, 1-tert-butyl-3-(m-hydroxyphenyl)-, tert-butylcarbamate (ester) is 307.19 g/mol.
Where can I buy Urea, 1-tert-butyl-3-(m-hydroxyphenyl)-, tert-butylcarbamate (ester)?
You can request a quote for Urea, 1-tert-butyl-3-(m-hydroxyphenyl)-, tert-butylcarbamate (ester) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Urea, 1-tert-butyl-3-(m-hydroxyphenyl)-, tert-butylcarbamate (ester)?
Yes, KEHONG BIO provides custom synthesis services for Urea, 1-tert-butyl-3-(m-hydroxyphenyl)-, tert-butylcarbamate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.