Valeranilide, 2,2-dimethyl-3'-hydroxy-, tert-butylcarbamate (ester)
TL;DR: Valeranilide, 2,2-dimethyl-3'-hydroxy-, tert-butylcarbamate (ester) (CAS 17795-80-1) is a chemical compound with molecular formula C18H28N2O3 and molecular weight 320.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(2,2-dimethylpentanoylamino)phenyl] N-tert-butylcarbamate
Also Known As: m-(2,2-Dimethylvaleramido)phenyl tert-butylcarbamate, Valeranilide, 2,2-dimethyl-3'-hydroxy-, tert-butylcarbamate (ester), [3-(2,2-dimethylpentanoylamino)phenyl] N-tert-butylcarbamate, Valeranilide, 2,2-dimethyl-3'-hydroxy-, tert-butylcarbamate, Valeranilide, 3'-hydroxy-2,2-dimethyl-, tert-butylcarbamate
| Molecular Formula | C18H28N2O3 |
|---|---|
| Molecular Weight | 320.21 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 67.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 320.21 |
| Heavy Atoms | 23 |
| Complexity | 413.0 |
Chemical Identifiers
| CAS Number | 17795-80-1 |
|---|---|
| SMILES | CCCC(C)(C)C(=O)NC1=CC(=CC=C1)OC(=O)NC(C)(C)C |
| InChIKey | PNJZAJBZQHXCMJ-UHFFFAOYSA-N |
Product Overview
Valeranilide, 2,2-dimethyl-3'-hydroxy-, tert-butylcarbamate (ester) (CAS 17795-80-1), with molecular formula C18H28N2O3 and molecular weight 320.21 g/mol. IUPAC: [3-(2,2-dimethylpentanoylamino)phenyl] N-tert-butylcarbamate.
Chemical Property Profile of Valeranilide, 2,2-dimethyl-3'-hydroxy-, tert-butylcarbamate (ester)
Property Insights of Valeranilide, 2,2-dimethyl-3'-hydroxy-, tert-butylcarbamate (ester)
The XLogP value of 3.9 indicates that Valeranilide, 2,2-dimethyl-3'-hydroxy-, tert-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, 2,2-dimethyl-3'-hydroxy-, tert-butylcarbamate (ester). Following Lipinski's Rule of Five, Valeranilide, 2,2-dimethyl-3'-hydroxy-, tert-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, 2,2-dimethyl-3'-hydroxy-, tert-butylcarbamate (ester)?
The CAS number of Valeranilide, 2,2-dimethyl-3'-hydroxy-, tert-butylcarbamate (ester) is 17795-80-1.
What is the molecular formula of Valeranilide, 2,2-dimethyl-3'-hydroxy-, tert-butylcarbamate (ester)?
The molecular formula of Valeranilide, 2,2-dimethyl-3'-hydroxy-, tert-butylcarbamate (ester) is C18H28N2O3.
What is the molecular weight of Valeranilide, 2,2-dimethyl-3'-hydroxy-, tert-butylcarbamate (ester)?
The molecular weight of Valeranilide, 2,2-dimethyl-3'-hydroxy-, tert-butylcarbamate (ester) is 320.21 g/mol.
Where can I buy Valeranilide, 2,2-dimethyl-3'-hydroxy-, tert-butylcarbamate (ester)?
You can request a quote for Valeranilide, 2,2-dimethyl-3'-hydroxy-, tert-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, 2,2-dimethyl-3'-hydroxy-, tert-butylcarbamate (ester)?
Yes, KEHONG BIO provides custom synthesis services for Valeranilide, 2,2-dimethyl-3'-hydroxy-, tert-butylcarbamate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.