7-chloro-N-ethyl-4-nitro-2,1,3-benzoxadiazol-5-amine
TL;DR: 7-chloro-N-ethyl-4-nitro-2,1,3-benzoxadiazol-5-amine (CAS 332163-99-2) is a chemical compound with molecular formula C8H7ClN4O3 and molecular weight 242.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-N-ethyl-4-nitro-2,1,3-benzoxadiazol-5-amine
Also Known As: BAS 01237137, 7-chloro-N-ethyl-4-nitro-2,1,3-benzoxadiazol-5-amine, 7-chloro-N-ethyl-4-nitrobenzo[c][1,2,5]oxadiazol-5-amine, (7-Chloro-4-nitro-benzo[1,2,5]oxadiazol-5-yl)-ethyl-amine
| Molecular Formula | C8H7ClN4O3 |
|---|---|
| Molecular Weight | 242.02 g/mol |
| LogP | 2.2162 |
| Topological Polar Surface Area | 94.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 242.02066 |
| Heavy Atoms | 16 |
| Complexity | 553.45215 |
Chemical Identifiers
| CAS Number | 332163-99-2 |
|---|---|
| SMILES | CCNC1=C(C2=NON=C2C(=C1)Cl)[N+](=O)[O-] |
Product Overview
7-chloro-N-ethyl-4-nitro-2,1,3-benzoxadiazol-5-amine (CAS 332163-99-2), with molecular formula C8H7ClN4O3 and molecular weight 242.02 g/mol. IUPAC: 7-chloro-N-ethyl-4-nitro-2,1,3-benzoxadiazol-5-amine.
Chemical Property Profile of 7-chloro-N-ethyl-4-nitro-2,1,3-benzoxadiazol-5-amine
Property Insights of 7-chloro-N-ethyl-4-nitro-2,1,3-benzoxadiazol-5-amine
The XLogP value of 2.2162 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-chloro-N-ethyl-4-nitro-2,1,3-benzoxadiazol-5-amine. The TPSA of 94.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-chloro-N-ethyl-4-nitro-2,1,3-benzoxadiazol-5-amine. Following Lipinski's Rule of Five, 7-chloro-N-ethyl-4-nitro-2,1,3-benzoxadiazol-5-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 7-chloro-N-ethyl-4-nitro-2,1,3-benzoxadiazol-5-amine?
The CAS number of 7-chloro-N-ethyl-4-nitro-2,1,3-benzoxadiazol-5-amine is 332163-99-2.
What is the molecular formula of 7-chloro-N-ethyl-4-nitro-2,1,3-benzoxadiazol-5-amine?
The molecular formula of 7-chloro-N-ethyl-4-nitro-2,1,3-benzoxadiazol-5-amine is C8H7ClN4O3.
What is the molecular weight of 7-chloro-N-ethyl-4-nitro-2,1,3-benzoxadiazol-5-amine?
The molecular weight of 7-chloro-N-ethyl-4-nitro-2,1,3-benzoxadiazol-5-amine is 242.02 g/mol.
Where can I buy 7-chloro-N-ethyl-4-nitro-2,1,3-benzoxadiazol-5-amine?
You can request a quote for 7-chloro-N-ethyl-4-nitro-2,1,3-benzoxadiazol-5-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-chloro-N-ethyl-4-nitro-2,1,3-benzoxadiazol-5-amine?
Yes, KEHONG BIO provides custom synthesis services for 7-chloro-N-ethyl-4-nitro-2,1,3-benzoxadiazol-5-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.