Hexananilide, 3'-hydroxy-2-methyl-, methylcarbamate (ester)
TL;DR: Hexananilide, 3'-hydroxy-2-methyl-, methylcarbamate (ester) (CAS 17795-81-2) is a chemical compound with molecular formula C15H22N2O3 and molecular weight 278.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(hexanoylamino)-2-methylphenyl] N-methylcarbamate
Also Known As: m-(2-Methylhexanamido)phenyl methylcarbamate, 3-Hexanamido-2-methylphenyl methylcarbamate, [3-(hexanoylamino)-2-methylphenyl] N-methylcarbamate, HEXANANILIDE, 3'-HYDROXY-2-METHYL-, METHYLCARBAMATE (ester), Valeranilide,3'-hydroxy-2,2-dimethyl-,isopropylcarbamate
| Molecular Formula | C15H22N2O3 |
|---|---|
| Molecular Weight | 278.16 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 67.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 278.16306 |
| Heavy Atoms | 20 |
| Complexity | 320.0 |
Chemical Identifiers
| CAS Number | 17795-81-2 |
|---|---|
| SMILES | CCCCCC(=O)NC1=C(C(=CC=C1)OC(=O)NC)C |
| InChIKey | RHNZNAMGDKZKCX-UHFFFAOYSA-N |
Product Overview
Hexananilide, 3'-hydroxy-2-methyl-, methylcarbamate (ester) (CAS 17795-81-2), with molecular formula C15H22N2O3 and molecular weight 278.16 g/mol. IUPAC: [3-(hexanoylamino)-2-methylphenyl] N-methylcarbamate.
Chemical Property Profile of Hexananilide, 3'-hydroxy-2-methyl-, methylcarbamate (ester)
Property Insights of Hexananilide, 3'-hydroxy-2-methyl-, methylcarbamate (ester)
The XLogP value of 3.0 indicates that Hexananilide, 3'-hydroxy-2-methyl-, methylcarbamate (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 Hexananilide, 3'-hydroxy-2-methyl-, methylcarbamate (ester). Following Lipinski's Rule of Five, Hexananilide, 3'-hydroxy-2-methyl-, 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 Hexananilide, 3'-hydroxy-2-methyl-, methylcarbamate (ester)?
The CAS number of Hexananilide, 3'-hydroxy-2-methyl-, methylcarbamate (ester) is 17795-81-2.
What is the molecular formula of Hexananilide, 3'-hydroxy-2-methyl-, methylcarbamate (ester)?
The molecular formula of Hexananilide, 3'-hydroxy-2-methyl-, methylcarbamate (ester) is C15H22N2O3.
What is the molecular weight of Hexananilide, 3'-hydroxy-2-methyl-, methylcarbamate (ester)?
The molecular weight of Hexananilide, 3'-hydroxy-2-methyl-, methylcarbamate (ester) is 278.16 g/mol.
Where can I buy Hexananilide, 3'-hydroxy-2-methyl-, methylcarbamate (ester)?
You can request a quote for Hexananilide, 3'-hydroxy-2-methyl-, methylcarbamate (ester) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexananilide, 3'-hydroxy-2-methyl-, methylcarbamate (ester)?
Yes, KEHONG BIO provides custom synthesis services for Hexananilide, 3'-hydroxy-2-methyl-, methylcarbamate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.