2,4-Dichloro-6-nitrophenyl chloroacetate
TL;DR: 2,4-Dichloro-6-nitrophenyl chloroacetate (CAS 105783-16-2) is a chemical compound with molecular formula C8H4Cl3NO4 and molecular weight 282.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,4-dichloro-6-nitrophenyl) 2-chloroacetate
Also Known As: NCIOpen2_002481, 2,4-dichloro-6-nitrophenyl chloroacetate, (2,4-dichloro-6-nitrophenyl) 2-chloroacetate
| Molecular Formula | C8H4Cl3NO4 |
|---|---|
| Molecular Weight | 282.92 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 282.9206 |
| Heavy Atoms | 16 |
| Complexity | 283.0 |
Chemical Identifiers
| CAS Number | 105783-16-2 |
|---|---|
| SMILES | C1=C(C=C(C(=C1[N+](=O)[O-])OC(=O)CCl)Cl)Cl |
| InChIKey | BXGWFAZUZOREOZ-UHFFFAOYSA-N |
Product Overview
2,4-Dichloro-6-nitrophenyl chloroacetate (CAS 105783-16-2), with molecular formula C8H4Cl3NO4 and molecular weight 282.92 g/mol. IUPAC: (2,4-dichloro-6-nitrophenyl) 2-chloroacetate.
Chemical Property Profile of 2,4-Dichloro-6-nitrophenyl chloroacetate
Property Insights of 2,4-Dichloro-6-nitrophenyl chloroacetate
The XLogP value of 3.4 indicates that 2,4-Dichloro-6-nitrophenyl chloroacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-Dichloro-6-nitrophenyl chloroacetate. Following Lipinski's Rule of Five, 2,4-Dichloro-6-nitrophenyl chloroacetate has 0 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 2,4-Dichloro-6-nitrophenyl chloroacetate?
The CAS number of 2,4-Dichloro-6-nitrophenyl chloroacetate is 105783-16-2.
What is the molecular formula of 2,4-Dichloro-6-nitrophenyl chloroacetate?
The molecular formula of 2,4-Dichloro-6-nitrophenyl chloroacetate is C8H4Cl3NO4.
What is the molecular weight of 2,4-Dichloro-6-nitrophenyl chloroacetate?
The molecular weight of 2,4-Dichloro-6-nitrophenyl chloroacetate is 282.92 g/mol.
Where can I buy 2,4-Dichloro-6-nitrophenyl chloroacetate?
You can request a quote for 2,4-Dichloro-6-nitrophenyl chloroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Dichloro-6-nitrophenyl chloroacetate?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dichloro-6-nitrophenyl chloroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.