N-(4-chlorophenyl)-4-nitro-2,1,3-benzoxadiazol-7-amine
TL;DR: N-(4-chlorophenyl)-4-nitro-2,1,3-benzoxadiazol-7-amine (CAS 18378-17-1) is a chemical compound with molecular formula C12H7ClN4O3 and molecular weight 290.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chlorophenyl)-4-nitro-2,1,3-benzoxadiazol-7-amine
Also Known As: J1.918.131F, 2,1,3-benzoxadiazol-4-amine, N-(4-chlorophenyl)-7-nitro-, AB01318008-02, N-(4-Chlorophenyl)-7-nitrobenzofurazane-4-amine, N-(4-chlorophenyl)-4-nitro-2,1,3-benzoxadiazol-7-amine
| Molecular Formula | C12H7ClN4O3 |
|---|---|
| Molecular Weight | 290.02 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 96.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 290.02066 |
| Heavy Atoms | 20 |
| Complexity | 359.0 |
Chemical Identifiers
| CAS Number | 18378-17-1 |
|---|---|
| SMILES | C1=CC(=CC=C1NC2=CC=C(C3=NON=C23)[N+](=O)[O-])Cl |
| InChIKey | BOAJDMIDSSIIGG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(4-chlorophenyl)-4-nitro-2,1,3-benzoxadiazol-7-amine (CAS 18378-17-1), with molecular formula C12H7ClN4O3 and molecular weight 290.02 g/mol. IUPAC: N-(4-chlorophenyl)-4-nitro-2,1,3-benzoxadiazol-7-amine.
Chemical Property Profile of N-(4-chlorophenyl)-4-nitro-2,1,3-benzoxadiazol-7-amine
Property Insights of N-(4-chlorophenyl)-4-nitro-2,1,3-benzoxadiazol-7-amine
The XLogP value of 3.2 indicates that N-(4-chlorophenyl)-4-nitro-2,1,3-benzoxadiazol-7-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.8 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-chlorophenyl)-4-nitro-2,1,3-benzoxadiazol-7-amine. Following Lipinski's Rule of Five, N-(4-chlorophenyl)-4-nitro-2,1,3-benzoxadiazol-7-amine has 1 hydrogen bond donor(s) and 6 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 N-(4-chlorophenyl)-4-nitro-2,1,3-benzoxadiazol-7-amine?
The CAS number of N-(4-chlorophenyl)-4-nitro-2,1,3-benzoxadiazol-7-amine is 18378-17-1.
What is the molecular formula of N-(4-chlorophenyl)-4-nitro-2,1,3-benzoxadiazol-7-amine?
The molecular formula of N-(4-chlorophenyl)-4-nitro-2,1,3-benzoxadiazol-7-amine is C12H7ClN4O3.
What is the molecular weight of N-(4-chlorophenyl)-4-nitro-2,1,3-benzoxadiazol-7-amine?
The molecular weight of N-(4-chlorophenyl)-4-nitro-2,1,3-benzoxadiazol-7-amine is 290.02 g/mol.
Where can I buy N-(4-chlorophenyl)-4-nitro-2,1,3-benzoxadiazol-7-amine?
You can request a quote for N-(4-chlorophenyl)-4-nitro-2,1,3-benzoxadiazol-7-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-chlorophenyl)-4-nitro-2,1,3-benzoxadiazol-7-amine?
Yes, KEHONG BIO provides custom synthesis services for N-(4-chlorophenyl)-4-nitro-2,1,3-benzoxadiazol-7-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.