(3-Nitro-4-phenoxyphenyl)methyl 3,4-dichlorobenzoate
TL;DR: (3-Nitro-4-phenoxyphenyl)methyl 3,4-dichlorobenzoate (CAS 338960-67-1) is a chemical compound with molecular formula C20H13Cl2NO5 and molecular weight 417.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-nitro-4-phenoxyphenyl)methyl 3,4-dichlorobenzoate
Also Known As: (3-nitro-4-phenoxyphenyl)methyl 3,4-dichlorobenzoate, 5L-502S, 3-nitro-4-phenoxybenzyl 3,4-dichlorobenzenecarboxylate, (3-nitro-4-phenoxyphenyl)methyl3,4-dichlorobenzoate, (3-nitro-4-phenoxy-phenyl)methyl 3,4-dichlorobenzoate
| Molecular Formula | C20H13Cl2NO5 |
|---|---|
| Molecular Weight | 417.02 g/mol |
| LogP | 6.0509 |
| Topological Polar Surface Area | 78.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 417.0171 |
| Heavy Atoms | 28 |
| Complexity | 1024.3596 |
Chemical Identifiers
| CAS Number | 338960-67-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC2=C(C=C(C=C2)COC(=O)C3=CC(=C(C=C3)Cl)Cl)[N+](=O)[O-] |
Product Overview
(3-Nitro-4-phenoxyphenyl)methyl 3,4-dichlorobenzoate (CAS 338960-67-1), with molecular formula C20H13Cl2NO5 and molecular weight 417.02 g/mol. IUPAC: (3-nitro-4-phenoxyphenyl)methyl 3,4-dichlorobenzoate.
Chemical Property Profile of (3-Nitro-4-phenoxyphenyl)methyl 3,4-dichlorobenzoate
Property Insights of (3-Nitro-4-phenoxyphenyl)methyl 3,4-dichlorobenzoate
The XLogP value of 6.0509 indicates that (3-Nitro-4-phenoxyphenyl)methyl 3,4-dichlorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.67 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-Nitro-4-phenoxyphenyl)methyl 3,4-dichlorobenzoate. Following Lipinski's Rule of Five, (3-Nitro-4-phenoxyphenyl)methyl 3,4-dichlorobenzoate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (3-Nitro-4-phenoxyphenyl)methyl 3,4-dichlorobenzoate?
The CAS number of (3-Nitro-4-phenoxyphenyl)methyl 3,4-dichlorobenzoate is 338960-67-1.
What is the molecular formula of (3-Nitro-4-phenoxyphenyl)methyl 3,4-dichlorobenzoate?
The molecular formula of (3-Nitro-4-phenoxyphenyl)methyl 3,4-dichlorobenzoate is C20H13Cl2NO5.
What is the molecular weight of (3-Nitro-4-phenoxyphenyl)methyl 3,4-dichlorobenzoate?
The molecular weight of (3-Nitro-4-phenoxyphenyl)methyl 3,4-dichlorobenzoate is 417.02 g/mol.
Where can I buy (3-Nitro-4-phenoxyphenyl)methyl 3,4-dichlorobenzoate?
You can request a quote for (3-Nitro-4-phenoxyphenyl)methyl 3,4-dichlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Nitro-4-phenoxyphenyl)methyl 3,4-dichlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for (3-Nitro-4-phenoxyphenyl)methyl 3,4-dichlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.