Monomethyl karbutilate
TL;DR: Monomethyl karbutilate (CAS 4849-42-7) is a chemical compound with molecular formula C13H19N3O3 and molecular weight 265.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(methylcarbamoylamino)phenyl] N-tert-butylcarbamate
Also Known As: Monomethyl karbutilate, Urea, tert-butylcarbamate, m-(3-Methylureido)phenyl tert-butylcarbamate, Carbamic acid, t-butyl-, m-(3-methylureido)phenyl ester, 3-[(methylcarbamoyl)amino]phenyl tert-butylcarbamate
| Molecular Formula | C13H19N3O3 |
|---|---|
| Molecular Weight | 265.14 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 79.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 265.14264 |
| Heavy Atoms | 19 |
| Complexity | 326.0 |
Chemical Identifiers
| CAS Number | 4849-42-7 |
|---|---|
| SMILES | CC(C)(C)NC(=O)OC1=CC=CC(=C1)NC(=O)NC |
| InChIKey | SSFHUMHURJORHS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Monomethyl karbutilate (CAS 4849-42-7), with molecular formula C13H19N3O3 and molecular weight 265.14 g/mol. IUPAC: [3-(methylcarbamoylamino)phenyl] N-tert-butylcarbamate.
Chemical Property Profile of Monomethyl karbutilate
Property Insights of Monomethyl karbutilate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Monomethyl karbutilate. The TPSA of 79.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Monomethyl karbutilate. Following Lipinski's Rule of Five, Monomethyl karbutilate 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 Monomethyl karbutilate?
The CAS number of Monomethyl karbutilate is 4849-42-7.
What is the molecular formula of Monomethyl karbutilate?
The molecular formula of Monomethyl karbutilate is C13H19N3O3.
What is the molecular weight of Monomethyl karbutilate?
The molecular weight of Monomethyl karbutilate is 265.14 g/mol.
Where can I buy Monomethyl karbutilate?
You can request a quote for Monomethyl karbutilate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Monomethyl karbutilate?
Yes, KEHONG BIO provides custom synthesis services for Monomethyl karbutilate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.