Naphthalen-1-yl 4-chloro-3-nitrobenzoate
TL;DR: Naphthalen-1-yl 4-chloro-3-nitrobenzoate (CAS 313250-72-5) 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-1-yl 4-chloro-3-nitrobenzoate
Also Known As: naphthalen-1-yl 4-chloro-3-nitrobenzoate, naphthyl 4-chloro-3-nitrobenzoate, 1-naphthyl 4-chloro-3-nitrobenzoate, F1175-0216, A1760/0074711
| 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 | 313250-72-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC=C2OC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-] |
| InChIKey | MCKJVLDNOWRHHT-UHFFFAOYSA-N |
Product Overview
Naphthalen-1-yl 4-chloro-3-nitrobenzoate (CAS 313250-72-5), with molecular formula C17H10ClNO4 and molecular weight 327.03 g/mol. IUPAC: naphthalen-1-yl 4-chloro-3-nitrobenzoate.
Chemical Property Profile of Naphthalen-1-yl 4-chloro-3-nitrobenzoate
Property Insights of Naphthalen-1-yl 4-chloro-3-nitrobenzoate
The XLogP value of 5.0 indicates that Naphthalen-1-yl 4-chloro-3-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-1-yl 4-chloro-3-nitrobenzoate. Following Lipinski's Rule of Five, Naphthalen-1-yl 4-chloro-3-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-1-yl 4-chloro-3-nitrobenzoate?
The CAS number of Naphthalen-1-yl 4-chloro-3-nitrobenzoate is 313250-72-5.
What is the molecular formula of Naphthalen-1-yl 4-chloro-3-nitrobenzoate?
The molecular formula of Naphthalen-1-yl 4-chloro-3-nitrobenzoate is C17H10ClNO4.
What is the molecular weight of Naphthalen-1-yl 4-chloro-3-nitrobenzoate?
The molecular weight of Naphthalen-1-yl 4-chloro-3-nitrobenzoate is 327.03 g/mol.
Where can I buy Naphthalen-1-yl 4-chloro-3-nitrobenzoate?
You can request a quote for Naphthalen-1-yl 4-chloro-3-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Naphthalen-1-yl 4-chloro-3-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Naphthalen-1-yl 4-chloro-3-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.