Methyl 3-methyl-2-(3-phenylureido)butanoate
TL;DR: Methyl 3-methyl-2-(3-phenylureido)butanoate (CAS 90495-23-1) is a chemical compound with molecular formula C13H18N2O3 and molecular weight 250.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-methyl-2-(phenylcarbamoylamino)butanoate
Also Known As: TimTec1_001965, methyl 3-methyl-2-(3-phenylureido)butanoate, methyl 3-methyl-2-(phenylcarbamoylamino)butanoate, methyl 2-[(anilinocarbonyl)amino]-3-methylbutanoate, methyl 3-methyl-2-[(phenylcarbamoyl)amino]butanoate
| Molecular Formula | C13H18N2O3 |
|---|---|
| Molecular Weight | 250.13 g/mol |
| LogP | 2.0057 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 250.13174 |
| Heavy Atoms | 18 |
| Complexity | 403.9572 |
Chemical Identifiers
| CAS Number | 90495-23-1 |
|---|---|
| SMILES | CC(C)C(C(=O)OC)NC(=O)NC1=CC=CC=C1 |
Product Overview
Methyl 3-methyl-2-(3-phenylureido)butanoate (CAS 90495-23-1), with molecular formula C13H18N2O3 and molecular weight 250.13 g/mol. IUPAC: methyl 3-methyl-2-(phenylcarbamoylamino)butanoate.
Chemical Property Profile of Methyl 3-methyl-2-(3-phenylureido)butanoate
Property Insights of Methyl 3-methyl-2-(3-phenylureido)butanoate
The XLogP value of 2.0057 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-methyl-2-(3-phenylureido)butanoate. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-methyl-2-(3-phenylureido)butanoate. Following Lipinski's Rule of Five, Methyl 3-methyl-2-(3-phenylureido)butanoate 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 Methyl 3-methyl-2-(3-phenylureido)butanoate?
The CAS number of Methyl 3-methyl-2-(3-phenylureido)butanoate is 90495-23-1.
What is the molecular formula of Methyl 3-methyl-2-(3-phenylureido)butanoate?
The molecular formula of Methyl 3-methyl-2-(3-phenylureido)butanoate is C13H18N2O3.
What is the molecular weight of Methyl 3-methyl-2-(3-phenylureido)butanoate?
The molecular weight of Methyl 3-methyl-2-(3-phenylureido)butanoate is 250.13 g/mol.
Where can I buy Methyl 3-methyl-2-(3-phenylureido)butanoate?
You can request a quote for Methyl 3-methyl-2-(3-phenylureido)butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-methyl-2-(3-phenylureido)butanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-methyl-2-(3-phenylureido)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.