(2S,3S)-2-amino-3-methyl-N-(4-nitrophenyl)pentanamide
TL;DR: (2S,3S)-2-amino-3-methyl-N-(4-nitrophenyl)pentanamide (CAS 70323-44-3) 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.
(2S,3S)-2-amino-3-methyl-N-(4-nitrophenyl)pentanamide
Also Known As: H-ILE-PNA, Pertussis Toxin?, (2S,3S)-2-amino-3-methyl-N-(4-nitrophenyl)pentanamide, L-Ile-pNA, L-Isoleucine 4-nitroanilide
| Molecular Formula | C12H17N3O3 |
|---|---|
| Molecular Weight | 251.13 g/mol |
| LogP | 1.9067 |
| Topological Polar Surface Area | 98.26 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 251.127 |
| Heavy Atoms | 18 |
| Complexity | 430.6987 |
Chemical Identifiers
| CAS Number | 70323-44-3 |
|---|---|
| SMILES | CC[C@H](C)[C@@H](C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])N |
Product Overview
(2S,3S)-2-amino-3-methyl-N-(4-nitrophenyl)pentanamide (CAS 70323-44-3), with molecular formula C12H17N3O3 and molecular weight 251.13 g/mol. IUPAC: (2S,3S)-2-amino-3-methyl-N-(4-nitrophenyl)pentanamide.
Chemical Property Profile of (2S,3S)-2-amino-3-methyl-N-(4-nitrophenyl)pentanamide
Property Insights of (2S,3S)-2-amino-3-methyl-N-(4-nitrophenyl)pentanamide
The XLogP value of 1.9067 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S,3S)-2-amino-3-methyl-N-(4-nitrophenyl)pentanamide. The TPSA of 98.26 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S,3S)-2-amino-3-methyl-N-(4-nitrophenyl)pentanamide. Following Lipinski's Rule of Five, (2S,3S)-2-amino-3-methyl-N-(4-nitrophenyl)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 (2S,3S)-2-amino-3-methyl-N-(4-nitrophenyl)pentanamide?
The CAS number of (2S,3S)-2-amino-3-methyl-N-(4-nitrophenyl)pentanamide is 70323-44-3.
What is the molecular formula of (2S,3S)-2-amino-3-methyl-N-(4-nitrophenyl)pentanamide?
The molecular formula of (2S,3S)-2-amino-3-methyl-N-(4-nitrophenyl)pentanamide is C12H17N3O3.
What is the molecular weight of (2S,3S)-2-amino-3-methyl-N-(4-nitrophenyl)pentanamide?
The molecular weight of (2S,3S)-2-amino-3-methyl-N-(4-nitrophenyl)pentanamide is 251.13 g/mol.
Where can I buy (2S,3S)-2-amino-3-methyl-N-(4-nitrophenyl)pentanamide?
You can request a quote for (2S,3S)-2-amino-3-methyl-N-(4-nitrophenyl)pentanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S,3S)-2-amino-3-methyl-N-(4-nitrophenyl)pentanamide?
Yes, KEHONG BIO provides custom synthesis services for (2S,3S)-2-amino-3-methyl-N-(4-nitrophenyl)pentanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.