4-Methyl-2-(4-nitroanilino)pentanamide
TL;DR: 4-Methyl-2-(4-nitroanilino)pentanamide (CAS 4178-93-2) is a chemical compound with molecular formula C12H17N3O3 and molecular weight 251.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-2-(4-nitroanilino)pentanamide
Also Known As: L-Leucine-p-nitroanilide, 4-methyl-2-(4-nitroanilino)pentanamide, (S)-2-Amino-4-methyl-N-(4-nitrophenyl)valeramide, Pentanamide, 2-amino-4-methyl-N-(4-nitrophenyl)-, (2S)-, EINECS 224-047-3
| Molecular Formula | C12H17N3O3 |
|---|---|
| Molecular Weight | 251.13 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 251.127 |
| Heavy Atoms | 18 |
| Complexity | 293.0 |
Chemical Identifiers
| CAS Number | 4178-93-2 |
|---|---|
| SMILES | CC(C)CC(C(=O)N)NC1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | GIEQEPUANFBFEJ-UHFFFAOYSA-N |
Product Overview
4-Methyl-2-(4-nitroanilino)pentanamide (CAS 4178-93-2), with molecular formula C12H17N3O3 and molecular weight 251.13 g/mol. IUPAC: 4-methyl-2-(4-nitroanilino)pentanamide.
Chemical Property Profile of 4-Methyl-2-(4-nitroanilino)pentanamide
Property Insights of 4-Methyl-2-(4-nitroanilino)pentanamide
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methyl-2-(4-nitroanilino)pentanamide. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methyl-2-(4-nitroanilino)pentanamide. Following Lipinski's Rule of Five, 4-Methyl-2-(4-nitroanilino)pentanamide has 2 hydrogen bond donor(s) and 4 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 4-Methyl-2-(4-nitroanilino)pentanamide?
The CAS number of 4-Methyl-2-(4-nitroanilino)pentanamide is 4178-93-2.
What is the molecular formula of 4-Methyl-2-(4-nitroanilino)pentanamide?
The molecular formula of 4-Methyl-2-(4-nitroanilino)pentanamide is C12H17N3O3.
What is the molecular weight of 4-Methyl-2-(4-nitroanilino)pentanamide?
The molecular weight of 4-Methyl-2-(4-nitroanilino)pentanamide is 251.13 g/mol.
Where can I buy 4-Methyl-2-(4-nitroanilino)pentanamide?
You can request a quote for 4-Methyl-2-(4-nitroanilino)pentanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methyl-2-(4-nitroanilino)pentanamide?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-2-(4-nitroanilino)pentanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.