7-chloro-N-methyl-4-nitro-2,1,3-benzoxadiazol-5-amine
TL;DR: 7-chloro-N-methyl-4-nitro-2,1,3-benzoxadiazol-5-amine (CAS 332164-07-5) is a chemical compound with molecular formula C7H5ClN4O3 and molecular weight 228.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-N-methyl-4-nitro-2,1,3-benzoxadiazol-5-amine
Also Known As: BAS 01237148, 7-chloro-N-methyl-4-nitro-2,1,3-benzoxadiazol-5-amine, (7-chloro-4-nitro-benzofurazan-5-yl)-methyl-amine, 7-chloranyl-N-methyl-4-nitro-2,1,3-benzoxadiazol-5-amine, (7-Chloro-4-nitro-benzo[1,2,5]oxadiazol-5-yl)-methyl-amine
| Molecular Formula | C7H5ClN4O3 |
|---|---|
| Molecular Weight | 228.01 g/mol |
| LogP | 1.8261 |
| Topological Polar Surface Area | 94.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 228.00502 |
| Heavy Atoms | 15 |
| Complexity | 538.25995 |
Chemical Identifiers
| CAS Number | 332164-07-5 |
|---|---|
| SMILES | CNC1=C(C2=NON=C2C(=C1)Cl)[N+](=O)[O-] |
Product Overview
7-chloro-N-methyl-4-nitro-2,1,3-benzoxadiazol-5-amine (CAS 332164-07-5), with molecular formula C7H5ClN4O3 and molecular weight 228.01 g/mol. IUPAC: 7-chloro-N-methyl-4-nitro-2,1,3-benzoxadiazol-5-amine.
Chemical Property Profile of 7-chloro-N-methyl-4-nitro-2,1,3-benzoxadiazol-5-amine
Property Insights of 7-chloro-N-methyl-4-nitro-2,1,3-benzoxadiazol-5-amine
The XLogP value of 1.8261 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-chloro-N-methyl-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-methyl-4-nitro-2,1,3-benzoxadiazol-5-amine. Following Lipinski's Rule of Five, 7-chloro-N-methyl-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-methyl-4-nitro-2,1,3-benzoxadiazol-5-amine?
The CAS number of 7-chloro-N-methyl-4-nitro-2,1,3-benzoxadiazol-5-amine is 332164-07-5.
What is the molecular formula of 7-chloro-N-methyl-4-nitro-2,1,3-benzoxadiazol-5-amine?
The molecular formula of 7-chloro-N-methyl-4-nitro-2,1,3-benzoxadiazol-5-amine is C7H5ClN4O3.
What is the molecular weight of 7-chloro-N-methyl-4-nitro-2,1,3-benzoxadiazol-5-amine?
The molecular weight of 7-chloro-N-methyl-4-nitro-2,1,3-benzoxadiazol-5-amine is 228.01 g/mol.
Where can I buy 7-chloro-N-methyl-4-nitro-2,1,3-benzoxadiazol-5-amine?
You can request a quote for 7-chloro-N-methyl-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-methyl-4-nitro-2,1,3-benzoxadiazol-5-amine?
Yes, KEHONG BIO provides custom synthesis services for 7-chloro-N-methyl-4-nitro-2,1,3-benzoxadiazol-5-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.