3,4,4-Trichloro-2-nitrobut-3-enoic acid
TL;DR: 3,4,4-Trichloro-2-nitrobut-3-enoic acid (CAS 55108-38-8) is a chemical compound with molecular formula C4H2Cl3NO4 and molecular weight 232.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4,4-trichloro-2-nitrobut-3-enoic acid
Also Known As: 3,4,4-trichloro-2-nitrobut-3-enoic acid, 3-Butenoic acid,3,4,4-trichloro-2-nitro, 3,4,4-trichloro-2-nitro-but-3-enoic Acid, 3-Butenoic acid, 3,4,4-trichloro-2-nitro-
| Molecular Formula | C4H2Cl3NO4 |
|---|---|
| Molecular Weight | 232.90 g/mol |
| LogP | 1.6018 |
| Topological Polar Surface Area | 80.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 232.90494 |
| Heavy Atoms | 12 |
| Complexity | 232.68753 |
Chemical Identifiers
| CAS Number | 55108-38-8 |
|---|---|
| SMILES | C(C(=C(Cl)Cl)Cl)(C(=O)O)[N+](=O)[O-] |
Product Overview
3,4,4-Trichloro-2-nitrobut-3-enoic acid (CAS 55108-38-8), with molecular formula C4H2Cl3NO4 and molecular weight 232.90 g/mol. IUPAC: 3,4,4-trichloro-2-nitrobut-3-enoic acid.
Chemical Property Profile of 3,4,4-Trichloro-2-nitrobut-3-enoic acid
Property Insights of 3,4,4-Trichloro-2-nitrobut-3-enoic acid
The XLogP value of 1.6018 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4,4-Trichloro-2-nitrobut-3-enoic acid. The TPSA of 80.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4,4-Trichloro-2-nitrobut-3-enoic acid. Following Lipinski's Rule of Five, 3,4,4-Trichloro-2-nitrobut-3-enoic acid has 1 hydrogen bond donor(s) and 3 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 3,4,4-Trichloro-2-nitrobut-3-enoic acid?
The CAS number of 3,4,4-Trichloro-2-nitrobut-3-enoic acid is 55108-38-8.
What is the molecular formula of 3,4,4-Trichloro-2-nitrobut-3-enoic acid?
The molecular formula of 3,4,4-Trichloro-2-nitrobut-3-enoic acid is C4H2Cl3NO4.
What is the molecular weight of 3,4,4-Trichloro-2-nitrobut-3-enoic acid?
The molecular weight of 3,4,4-Trichloro-2-nitrobut-3-enoic acid is 232.90 g/mol.
Where can I buy 3,4,4-Trichloro-2-nitrobut-3-enoic acid?
You can request a quote for 3,4,4-Trichloro-2-nitrobut-3-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4,4-Trichloro-2-nitrobut-3-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,4,4-Trichloro-2-nitrobut-3-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.