3-(m-Hydroxyphenyl)-1,1-dimethylurea isobutylcarbamate
TL;DR: 3-(m-Hydroxyphenyl)-1,1-dimethylurea isobutylcarbamate (CAS 4849-31-4) 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-(2-methylpropyl)carbamate
Also Known As: trimethylthio-methyl-tin, m-(3,3-Dimethylureido)phenyl isobutylcarbamate, Carbamic acid, isobutyl-, m-(3,3-dimethylureido)phenyl ester, 3-[(dimethylcarbamoyl)amino]phenyl isobutylcarbamate, Urea, 1,1-dimethyl-3-(m-hydroxyphenyl)-, isobutylcarbamate (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 | 332.0 |
Chemical Identifiers
| CAS Number | 4849-31-4 |
|---|---|
| SMILES | CC(C)CNC(=O)OC1=CC=CC(=C1)NC(=O)N(C)C |
| InChIKey | BFXLQAXFPODEJD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(m-Hydroxyphenyl)-1,1-dimethylurea isobutylcarbamate (CAS 4849-31-4), with molecular formula C14H21N3O3 and molecular weight 279.16 g/mol. IUPAC: [3-(dimethylcarbamoylamino)phenyl] N-(2-methylpropyl)carbamate.
Chemical Property Profile of 3-(m-Hydroxyphenyl)-1,1-dimethylurea isobutylcarbamate
Property Insights of 3-(m-Hydroxyphenyl)-1,1-dimethylurea isobutylcarbamate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(m-Hydroxyphenyl)-1,1-dimethylurea isobutylcarbamate. The TPSA of 70.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(m-Hydroxyphenyl)-1,1-dimethylurea isobutylcarbamate. Following Lipinski's Rule of Five, 3-(m-Hydroxyphenyl)-1,1-dimethylurea isobutylcarbamate 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 3-(m-Hydroxyphenyl)-1,1-dimethylurea isobutylcarbamate?
The CAS number of 3-(m-Hydroxyphenyl)-1,1-dimethylurea isobutylcarbamate is 4849-31-4.
What is the molecular formula of 3-(m-Hydroxyphenyl)-1,1-dimethylurea isobutylcarbamate?
The molecular formula of 3-(m-Hydroxyphenyl)-1,1-dimethylurea isobutylcarbamate is C14H21N3O3.
What is the molecular weight of 3-(m-Hydroxyphenyl)-1,1-dimethylurea isobutylcarbamate?
The molecular weight of 3-(m-Hydroxyphenyl)-1,1-dimethylurea isobutylcarbamate is 279.16 g/mol.
Where can I buy 3-(m-Hydroxyphenyl)-1,1-dimethylurea isobutylcarbamate?
You can request a quote for 3-(m-Hydroxyphenyl)-1,1-dimethylurea isobutylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(m-Hydroxyphenyl)-1,1-dimethylurea isobutylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for 3-(m-Hydroxyphenyl)-1,1-dimethylurea isobutylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.