Urea, 1,1-dimethyl-3-(m-hydroxyphenyl)-, sec-butylcarbamate (ester)
TL;DR: Urea, 1,1-dimethyl-3-(m-hydroxyphenyl)-, sec-butylcarbamate (ester) (CAS 5572-75-8) is a chemical compound with molecular formula C14H21N3O3 and molecular weight 279.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(dimethylcarbamoylamino)phenyl] N-butan-2-ylcarbamate
Also Known As: m-(3,3-Dimethylureido)phenyl sec-butylcarbamate, Urea, 1,1-dimethyl-3-(m-hydroxyphenyl)-, sec-butylcarbamate, Urea, 1,1-dimethyl-3-(m-hydroxyphenyl)-, sec-butylcarbamate (ester), [3-(dimethylcarbamoylamino)phenyl] N-butan-2-ylcarbamate, Carbamic acid, m-(3,3-dimethylureido)phenyl ester
| Molecular Formula | C14H21N3O3 |
|---|---|
| Molecular Weight | 279.16 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 70.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 279.1583 |
| Heavy Atoms | 20 |
| Complexity | 334.0 |
Chemical Identifiers
| CAS Number | 5572-75-8 |
|---|---|
| SMILES | CCC(C)NC(=O)OC1=CC=CC(=C1)NC(=O)N(C)C |
| InChIKey | KHELNBZNFVLSJX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Urea, 1,1-dimethyl-3-(m-hydroxyphenyl)-, sec-butylcarbamate (ester) (CAS 5572-75-8), with molecular formula C14H21N3O3 and molecular weight 279.16 g/mol. IUPAC: [3-(dimethylcarbamoylamino)phenyl] N-butan-2-ylcarbamate.
Chemical Property Profile of Urea, 1,1-dimethyl-3-(m-hydroxyphenyl)-, sec-butylcarbamate (ester)
Property Insights of Urea, 1,1-dimethyl-3-(m-hydroxyphenyl)-, sec-butylcarbamate (ester)
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Urea, 1,1-dimethyl-3-(m-hydroxyphenyl)-, sec-butylcarbamate (ester). The TPSA of 70.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Urea, 1,1-dimethyl-3-(m-hydroxyphenyl)-, sec-butylcarbamate (ester). Following Lipinski's Rule of Five, Urea, 1,1-dimethyl-3-(m-hydroxyphenyl)-, sec-butylcarbamate (ester) 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 Urea, 1,1-dimethyl-3-(m-hydroxyphenyl)-, sec-butylcarbamate (ester)?
The CAS number of Urea, 1,1-dimethyl-3-(m-hydroxyphenyl)-, sec-butylcarbamate (ester) is 5572-75-8.
What is the molecular formula of Urea, 1,1-dimethyl-3-(m-hydroxyphenyl)-, sec-butylcarbamate (ester)?
The molecular formula of Urea, 1,1-dimethyl-3-(m-hydroxyphenyl)-, sec-butylcarbamate (ester) is C14H21N3O3.
What is the molecular weight of Urea, 1,1-dimethyl-3-(m-hydroxyphenyl)-, sec-butylcarbamate (ester)?
The molecular weight of Urea, 1,1-dimethyl-3-(m-hydroxyphenyl)-, sec-butylcarbamate (ester) is 279.16 g/mol.
Where can I buy Urea, 1,1-dimethyl-3-(m-hydroxyphenyl)-, sec-butylcarbamate (ester)?
You can request a quote for Urea, 1,1-dimethyl-3-(m-hydroxyphenyl)-, sec-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, 1,1-dimethyl-3-(m-hydroxyphenyl)-, sec-butylcarbamate (ester)?
Yes, KEHONG BIO provides custom synthesis services for Urea, 1,1-dimethyl-3-(m-hydroxyphenyl)-, sec-butylcarbamate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.