Butyranilide, 2,2-dimethyl-3'-hydroxy-, methylcarbamate (ester)
TL;DR: Butyranilide, 2,2-dimethyl-3'-hydroxy-, methylcarbamate (ester) (CAS 17798-17-3) is a chemical compound with molecular formula C14H20N2O3 and molecular weight 264.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(2,2-dimethylbutanoylamino)phenyl] N-methylcarbamate
Also Known As: BUTYRANILIDE, 2,2-DIMETHYL-3'-HYDROXY-, METHYLCARBAMATE (ester), m-(2,2-Dimethylbutyramido)phenyl methylcarbamate, 3'-(Methylcarbamoyloxy)-2,2-dimethylbutyranilide, [3-(2,2-dimethylbutanoylamino)phenyl] N-methylcarbamate, Butyranilide, 3'-hydroxy-2,2-dimethyl-, methylcarbamate (ester)
| Molecular Formula | C14H20N2O3 |
|---|---|
| Molecular Weight | 264.15 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 67.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 264.1474 |
| Heavy Atoms | 19 |
| Complexity | 329.0 |
Chemical Identifiers
| CAS Number | 17798-17-3 |
|---|---|
| SMILES | CCC(C)(C)C(=O)NC1=CC(=CC=C1)OC(=O)NC |
| InChIKey | OBURPQOXUFCSTC-UHFFFAOYSA-N |
Product Overview
Butyranilide, 2,2-dimethyl-3'-hydroxy-, methylcarbamate (ester) (CAS 17798-17-3), with molecular formula C14H20N2O3 and molecular weight 264.15 g/mol. IUPAC: [3-(2,2-dimethylbutanoylamino)phenyl] N-methylcarbamate.
Chemical Property Profile of Butyranilide, 2,2-dimethyl-3'-hydroxy-, methylcarbamate (ester)
Property Insights of Butyranilide, 2,2-dimethyl-3'-hydroxy-, methylcarbamate (ester)
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyranilide, 2,2-dimethyl-3'-hydroxy-, methylcarbamate (ester). The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Butyranilide, 2,2-dimethyl-3'-hydroxy-, methylcarbamate (ester). Following Lipinski's Rule of Five, Butyranilide, 2,2-dimethyl-3'-hydroxy-, methylcarbamate (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 Butyranilide, 2,2-dimethyl-3'-hydroxy-, methylcarbamate (ester)?
The CAS number of Butyranilide, 2,2-dimethyl-3'-hydroxy-, methylcarbamate (ester) is 17798-17-3.
What is the molecular formula of Butyranilide, 2,2-dimethyl-3'-hydroxy-, methylcarbamate (ester)?
The molecular formula of Butyranilide, 2,2-dimethyl-3'-hydroxy-, methylcarbamate (ester) is C14H20N2O3.
What is the molecular weight of Butyranilide, 2,2-dimethyl-3'-hydroxy-, methylcarbamate (ester)?
The molecular weight of Butyranilide, 2,2-dimethyl-3'-hydroxy-, methylcarbamate (ester) is 264.15 g/mol.
Where can I buy Butyranilide, 2,2-dimethyl-3'-hydroxy-, methylcarbamate (ester)?
You can request a quote for Butyranilide, 2,2-dimethyl-3'-hydroxy-, methylcarbamate (ester) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyranilide, 2,2-dimethyl-3'-hydroxy-, methylcarbamate (ester)?
Yes, KEHONG BIO provides custom synthesis services for Butyranilide, 2,2-dimethyl-3'-hydroxy-, methylcarbamate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.