2,4,6-Trinitrophenylacetic acid
TL;DR: 2,4,6-Trinitrophenylacetic acid (CAS 77601-83-3) is a chemical compound with molecular formula C8H5N3O8 and molecular weight 271.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,4,6-trinitrophenyl)acetic acid
Also Known As: 2,4,6-Trinitrophenylacetic acid, (2,4,6-trinitrophenyl)acetic acid, 2-(2,4,6-trinitrophenyl)acetic acid, 2,4,6-Trinitrobenzeneacetic acid, ZERO/001277
| Molecular Formula | C8H5N3O8 |
|---|---|
| Molecular Weight | 271.01 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 175.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 271.00766 |
| Heavy Atoms | 19 |
| Complexity | 384.0 |
Chemical Identifiers
| CAS Number | 77601-83-3 |
|---|---|
| SMILES | C1=C(C=C(C(=C1[N+](=O)[O-])CC(=O)O)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | NECAHMOLCOTMNH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4,6-Trinitrophenylacetic acid (CAS 77601-83-3), with molecular formula C8H5N3O8 and molecular weight 271.01 g/mol. IUPAC: 2-(2,4,6-trinitrophenyl)acetic acid.
Chemical Property Profile of 2,4,6-Trinitrophenylacetic acid
Property Insights of 2,4,6-Trinitrophenylacetic acid
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4,6-Trinitrophenylacetic acid. The TPSA of 175.0 Ų indicates high polarity, suggesting 2,4,6-Trinitrophenylacetic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,4,6-Trinitrophenylacetic acid has 1 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 2,4,6-Trinitrophenylacetic acid?
The CAS number of 2,4,6-Trinitrophenylacetic acid is 77601-83-3.
What is the molecular formula of 2,4,6-Trinitrophenylacetic acid?
The molecular formula of 2,4,6-Trinitrophenylacetic acid is C8H5N3O8.
What is the molecular weight of 2,4,6-Trinitrophenylacetic acid?
The molecular weight of 2,4,6-Trinitrophenylacetic acid is 271.01 g/mol.
Where can I buy 2,4,6-Trinitrophenylacetic acid?
You can request a quote for 2,4,6-Trinitrophenylacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,6-Trinitrophenylacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,4,6-Trinitrophenylacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.