Naphthalen-2-yl 2-chloro-4-nitrobenzoate
TL;DR: Naphthalen-2-yl 2-chloro-4-nitrobenzoate (CAS 313250-54-3) is a chemical compound with molecular formula C17H10ClNO4 and molecular weight 327.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
naphthalen-2-yl 2-chloro-4-nitrobenzoate
Also Known As: naphthalen-2-yl 2-chloro-4-nitrobenzoate, 2-naphthyl 2-chloro-4-nitrobenzoate, F1175-0170, A1759/0074686
| Molecular Formula | C17H10ClNO4 |
|---|---|
| Molecular Weight | 327.03 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 327.02985 |
| Heavy Atoms | 23 |
| Complexity | 452.0 |
Chemical Identifiers
| CAS Number | 313250-54-3 |
|---|---|
| SMILES | C1=CC=C2C=C(C=CC2=C1)OC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl |
| InChIKey | FLWCPKIKGPAFOI-UHFFFAOYSA-N |
Product Overview
Naphthalen-2-yl 2-chloro-4-nitrobenzoate (CAS 313250-54-3), with molecular formula C17H10ClNO4 and molecular weight 327.03 g/mol. IUPAC: naphthalen-2-yl 2-chloro-4-nitrobenzoate.
Chemical Property Profile of Naphthalen-2-yl 2-chloro-4-nitrobenzoate
Property Insights of Naphthalen-2-yl 2-chloro-4-nitrobenzoate
The XLogP value of 5.0 indicates that Naphthalen-2-yl 2-chloro-4-nitrobenzoate 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 Naphthalen-2-yl 2-chloro-4-nitrobenzoate. Following Lipinski's Rule of Five, Naphthalen-2-yl 2-chloro-4-nitrobenzoate 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 Naphthalen-2-yl 2-chloro-4-nitrobenzoate?
The CAS number of Naphthalen-2-yl 2-chloro-4-nitrobenzoate is 313250-54-3.
What is the molecular formula of Naphthalen-2-yl 2-chloro-4-nitrobenzoate?
The molecular formula of Naphthalen-2-yl 2-chloro-4-nitrobenzoate is C17H10ClNO4.
What is the molecular weight of Naphthalen-2-yl 2-chloro-4-nitrobenzoate?
The molecular weight of Naphthalen-2-yl 2-chloro-4-nitrobenzoate is 327.03 g/mol.
Where can I buy Naphthalen-2-yl 2-chloro-4-nitrobenzoate?
You can request a quote for Naphthalen-2-yl 2-chloro-4-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Naphthalen-2-yl 2-chloro-4-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Naphthalen-2-yl 2-chloro-4-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.