(2S)-2-(2,4,6-trinitroanilino)propanoic acid
TL;DR: (2S)-2-(2,4,6-trinitroanilino)propanoic acid (CAS 1036-11-9) is a chemical compound with molecular formula C9H8N4O8 and molecular weight 300.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-(2,4,6-trinitroanilino)propanoic acid
Also Known As: N-Pikryl-DL-alanin, TNP-L-ALANINE, 2,4,6-trinitrophenyl-l-alanine, N-(2,4,6-Trinitrophenyl)-L-alanine, L-Alanine, N-(2,4,6-trinitrophenyl)-
| Molecular Formula | C9H8N4O8 |
|---|---|
| Molecular Weight | 300.03 g/mol |
| LogP | 1.2962 |
| Topological Polar Surface Area | 178.75 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 300.0342 |
| Heavy Atoms | 21 |
| Complexity | 607.63 |
Chemical Identifiers
| CAS Number | 1036-11-9 |
|---|---|
| SMILES | C[C@@H](C(=O)O)NC1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
(2S)-2-(2,4,6-trinitroanilino)propanoic acid (CAS 1036-11-9), with molecular formula C9H8N4O8 and molecular weight 300.03 g/mol. IUPAC: (2S)-2-(2,4,6-trinitroanilino)propanoic acid.
Chemical Property Profile of (2S)-2-(2,4,6-trinitroanilino)propanoic acid
Property Insights of (2S)-2-(2,4,6-trinitroanilino)propanoic acid
The XLogP value of 1.2962 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S)-2-(2,4,6-trinitroanilino)propanoic acid. The TPSA of 178.75 Ų indicates high polarity, suggesting (2S)-2-(2,4,6-trinitroanilino)propanoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (2S)-2-(2,4,6-trinitroanilino)propanoic acid has 2 hydrogen bond donor(s) and 8 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-(2,4,6-trinitroanilino)propanoic acid?
The CAS number of (2S)-2-(2,4,6-trinitroanilino)propanoic acid is 1036-11-9.
What is the molecular formula of (2S)-2-(2,4,6-trinitroanilino)propanoic acid?
The molecular formula of (2S)-2-(2,4,6-trinitroanilino)propanoic acid is C9H8N4O8.
What is the molecular weight of (2S)-2-(2,4,6-trinitroanilino)propanoic acid?
The molecular weight of (2S)-2-(2,4,6-trinitroanilino)propanoic acid is 300.03 g/mol.
Where can I buy (2S)-2-(2,4,6-trinitroanilino)propanoic acid?
You can request a quote for (2S)-2-(2,4,6-trinitroanilino)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S)-2-(2,4,6-trinitroanilino)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2S)-2-(2,4,6-trinitroanilino)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.