5-(3-Chloro-4-methylanilino)-4-nitro-2,1,3-benzoxadiazole
TL;DR: 5-(3-Chloro-4-methylanilino)-4-nitro-2,1,3-benzoxadiazole (CAS 374613-89-5) is a chemical compound with molecular formula C13H9ClN4O3 and molecular weight 304.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chloro-4-methylphenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine
Also Known As: 5-(3-chloro-4-methylanilino)-4-nitro-2,1,3-benzoxadiazole, AB01316009-02, N-(3-chloro-4-methylphenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine, N-(3-chloro-4-methylphenyl)-4-nitrobenzo[c][1,2,5]oxadiazol-5-amine
| Molecular Formula | C13H9ClN4O3 |
|---|---|
| Molecular Weight | 304.04 g/mol |
| LogP | 3.83642 |
| Topological Polar Surface Area | 94.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 304.03632 |
| Heavy Atoms | 21 |
| Complexity | 846.5487 |
Chemical Identifiers
| CAS Number | 374613-89-5 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC2=C(C3=NON=C3C=C2)[N+](=O)[O-])Cl |
Product Overview
5-(3-Chloro-4-methylanilino)-4-nitro-2,1,3-benzoxadiazole (CAS 374613-89-5), with molecular formula C13H9ClN4O3 and molecular weight 304.04 g/mol. IUPAC: N-(3-chloro-4-methylphenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine.
Chemical Property Profile of 5-(3-Chloro-4-methylanilino)-4-nitro-2,1,3-benzoxadiazole
Property Insights of 5-(3-Chloro-4-methylanilino)-4-nitro-2,1,3-benzoxadiazole
The XLogP value of 3.83642 indicates that 5-(3-Chloro-4-methylanilino)-4-nitro-2,1,3-benzoxadiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(3-Chloro-4-methylanilino)-4-nitro-2,1,3-benzoxadiazole. Following Lipinski's Rule of Five, 5-(3-Chloro-4-methylanilino)-4-nitro-2,1,3-benzoxadiazole 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 5-(3-Chloro-4-methylanilino)-4-nitro-2,1,3-benzoxadiazole?
The CAS number of 5-(3-Chloro-4-methylanilino)-4-nitro-2,1,3-benzoxadiazole is 374613-89-5.
What is the molecular formula of 5-(3-Chloro-4-methylanilino)-4-nitro-2,1,3-benzoxadiazole?
The molecular formula of 5-(3-Chloro-4-methylanilino)-4-nitro-2,1,3-benzoxadiazole is C13H9ClN4O3.
What is the molecular weight of 5-(3-Chloro-4-methylanilino)-4-nitro-2,1,3-benzoxadiazole?
The molecular weight of 5-(3-Chloro-4-methylanilino)-4-nitro-2,1,3-benzoxadiazole is 304.04 g/mol.
Where can I buy 5-(3-Chloro-4-methylanilino)-4-nitro-2,1,3-benzoxadiazole?
You can request a quote for 5-(3-Chloro-4-methylanilino)-4-nitro-2,1,3-benzoxadiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(3-Chloro-4-methylanilino)-4-nitro-2,1,3-benzoxadiazole?
Yes, KEHONG BIO provides custom synthesis services for 5-(3-Chloro-4-methylanilino)-4-nitro-2,1,3-benzoxadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.