![(2S)-2-amino-3-methyl-N-[(2S)-1-(4-nitroanilino)-1-oxopropan-2-yl]butanamide structure](/static/products/878/87810-63-7.png)
(2S)-2-amino-3-methyl-N-[(2S)-1-(4-nitroanilino)-1-oxopropan-2-yl]butanamide
TL;DR: (2S)-2-amino-3-methyl-N-[(2S)-1-(4-nitroanilino)-1-oxopropan-2-yl]butanamide (CAS 87810-63-7) is a chemical compound with molecular formula C14H20N4O4 and molecular weight 308.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-amino-3-methyl-N-[(2S)-1-(4-nitroanilino)-1-oxopropan-2-yl]butanamide
Also Known As: H-VAL-ALA-PNA, Val-Ala-pNA, HY-P4658, J1.717.119D, (2S)-2-amino-3-methyl-N-[(1S)-1-[(4-nitrophenyl)carbamoyl]ethyl]butanamide
| Molecular Formula | C14H20N4O4 |
|---|---|
| Molecular Weight | 308.15 g/mol |
| LogP | 1.0213 |
| Topological Polar Surface Area | 127.36 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 308.14847 |
| Heavy Atoms | 22 |
| Complexity | 556.4662 |
Chemical Identifiers
| CAS Number | 87810-63-7 |
|---|---|
| SMILES | C[C@@H](C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)[C@H](C(C)C)N |
Product Overview
(2S)-2-amino-3-methyl-N-[(2S)-1-(4-nitroanilino)-1-oxopropan-2-yl]butanamide (CAS 87810-63-7), with molecular formula C14H20N4O4 and molecular weight 308.15 g/mol. IUPAC: (2S)-2-amino-3-methyl-N-[(2S)-1-(4-nitroanilino)-1-oxopropan-2-yl]butanamide.
Chemical Property Profile of (2S)-2-amino-3-methyl-N-[(2S)-1-(4-nitroanilino)-1-oxopropan-2-yl]butanamide
Property Insights of (2S)-2-amino-3-methyl-N-[(2S)-1-(4-nitroanilino)-1-oxopropan-2-yl]butanamide
The XLogP value of 1.0213 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S)-2-amino-3-methyl-N-[(2S)-1-(4-nitroanilino)-1-oxopropan-2-yl]butanamide. The TPSA of 127.36 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S)-2-amino-3-methyl-N-[(2S)-1-(4-nitroanilino)-1-oxopropan-2-yl]butanamide. Following Lipinski's Rule of Five, (2S)-2-amino-3-methyl-N-[(2S)-1-(4-nitroanilino)-1-oxopropan-2-yl]butanamide has 3 hydrogen bond donor(s) and 5 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)-2-amino-3-methyl-N-[(2S)-1-(4-nitroanilino)-1-oxopropan-2-yl]butanamide?
The CAS number of (2S)-2-amino-3-methyl-N-[(2S)-1-(4-nitroanilino)-1-oxopropan-2-yl]butanamide is 87810-63-7.
What is the molecular formula of (2S)-2-amino-3-methyl-N-[(2S)-1-(4-nitroanilino)-1-oxopropan-2-yl]butanamide?
The molecular formula of (2S)-2-amino-3-methyl-N-[(2S)-1-(4-nitroanilino)-1-oxopropan-2-yl]butanamide is C14H20N4O4.
What is the molecular weight of (2S)-2-amino-3-methyl-N-[(2S)-1-(4-nitroanilino)-1-oxopropan-2-yl]butanamide?
The molecular weight of (2S)-2-amino-3-methyl-N-[(2S)-1-(4-nitroanilino)-1-oxopropan-2-yl]butanamide is 308.15 g/mol.
Where can I buy (2S)-2-amino-3-methyl-N-[(2S)-1-(4-nitroanilino)-1-oxopropan-2-yl]butanamide?
You can request a quote for (2S)-2-amino-3-methyl-N-[(2S)-1-(4-nitroanilino)-1-oxopropan-2-yl]butanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S)-2-amino-3-methyl-N-[(2S)-1-(4-nitroanilino)-1-oxopropan-2-yl]butanamide?
Yes, KEHONG BIO provides custom synthesis services for (2S)-2-amino-3-methyl-N-[(2S)-1-(4-nitroanilino)-1-oxopropan-2-yl]butanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.