Valeranilide, 3'-hydroxy-2-methyl-, sec-butylcarbamate (ester)
TL;DR: Valeranilide, 3'-hydroxy-2-methyl-, sec-butylcarbamate (ester) (CAS 17798-24-2) is a chemical compound with molecular formula C17H26N2O3 and molecular weight 306.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(2-methylpentanoylamino)phenyl] N-butan-2-ylcarbamate
Also Known As: m-(2-Methylvaleramido)phenyl sec-butylcarbamate, Valeranilide, 3'-hydroxy-2-methyl-, sec-butylcarbamate (ester), [3-(2-methylpentanoylamino)phenyl] N-butan-2-ylcarbamate, Carbamic acid, sec-butyl-, ester with 3'-hydroxy-2-methylvaleranilide, 3-(2-methylpentanamido)phenyl N-(butan-2-yl)carbamate
| Molecular Formula | C17H26N2O3 |
|---|---|
| Molecular Weight | 306.19 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 67.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 306.19434 |
| Heavy Atoms | 22 |
| Complexity | 360.0 |
Chemical Identifiers
| CAS Number | 17798-24-2 |
|---|---|
| SMILES | CCCC(C)C(=O)NC1=CC(=CC=C1)OC(=O)NC(C)CC |
| InChIKey | OVXITHMSYWERNG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Valeranilide, 3'-hydroxy-2-methyl-, sec-butylcarbamate (ester) (CAS 17798-24-2), with molecular formula C17H26N2O3 and molecular weight 306.19 g/mol. IUPAC: [3-(2-methylpentanoylamino)phenyl] N-butan-2-ylcarbamate.
Chemical Property Profile of Valeranilide, 3'-hydroxy-2-methyl-, sec-butylcarbamate (ester)
Property Insights of Valeranilide, 3'-hydroxy-2-methyl-, sec-butylcarbamate (ester)
The XLogP value of 3.9 indicates that Valeranilide, 3'-hydroxy-2-methyl-, sec-butylcarbamate (ester) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Valeranilide, 3'-hydroxy-2-methyl-, sec-butylcarbamate (ester). Following Lipinski's Rule of Five, Valeranilide, 3'-hydroxy-2-methyl-, 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 Valeranilide, 3'-hydroxy-2-methyl-, sec-butylcarbamate (ester)?
The CAS number of Valeranilide, 3'-hydroxy-2-methyl-, sec-butylcarbamate (ester) is 17798-24-2.
What is the molecular formula of Valeranilide, 3'-hydroxy-2-methyl-, sec-butylcarbamate (ester)?
The molecular formula of Valeranilide, 3'-hydroxy-2-methyl-, sec-butylcarbamate (ester) is C17H26N2O3.
What is the molecular weight of Valeranilide, 3'-hydroxy-2-methyl-, sec-butylcarbamate (ester)?
The molecular weight of Valeranilide, 3'-hydroxy-2-methyl-, sec-butylcarbamate (ester) is 306.19 g/mol.
Where can I buy Valeranilide, 3'-hydroxy-2-methyl-, sec-butylcarbamate (ester)?
You can request a quote for Valeranilide, 3'-hydroxy-2-methyl-, 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 Valeranilide, 3'-hydroxy-2-methyl-, sec-butylcarbamate (ester)?
Yes, KEHONG BIO provides custom synthesis services for Valeranilide, 3'-hydroxy-2-methyl-, sec-butylcarbamate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.