5-Anilino-4-nitro-7-(1-piperidinyl)-2,1,3-benzoxadiazole
TL;DR: 5-Anilino-4-nitro-7-(1-piperidinyl)-2,1,3-benzoxadiazole (CAS 353507-69-4) is a chemical compound with molecular formula C17H17N5O3 and molecular weight 339.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-nitro-N-phenyl-7-piperidin-1-yl-2,1,3-benzoxadiazol-5-amine
Also Known As: 5-anilino-4-nitro-7-(1-piperidinyl)-2,1,3-benzoxadiazole, AN-604/13600012, 4-nitro-N-phenyl-7-piperidin-1-yl-2,1,3-benzoxadiazol-5-amine, 4-NITRO-N-PHENYL-7-(PIPERIDIN-1-YL)-2,1,3-BENZOXADIAZOL-5-AMINE
| Molecular Formula | C17H17N5O3 |
|---|---|
| Molecular Weight | 339.13 g/mol |
| LogP | 3.8649 |
| Topological Polar Surface Area | 97.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 339.13315 |
| Heavy Atoms | 25 |
| Complexity | 903.29224 |
Chemical Identifiers
| CAS Number | 353507-69-4 |
|---|---|
| SMILES | C1CCN(CC1)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])NC4=CC=CC=C4 |
Product Overview
5-Anilino-4-nitro-7-(1-piperidinyl)-2,1,3-benzoxadiazole (CAS 353507-69-4), with molecular formula C17H17N5O3 and molecular weight 339.13 g/mol. IUPAC: 4-nitro-N-phenyl-7-piperidin-1-yl-2,1,3-benzoxadiazol-5-amine.
Chemical Property Profile of 5-Anilino-4-nitro-7-(1-piperidinyl)-2,1,3-benzoxadiazole
Property Insights of 5-Anilino-4-nitro-7-(1-piperidinyl)-2,1,3-benzoxadiazole
The XLogP value of 3.8649 indicates that 5-Anilino-4-nitro-7-(1-piperidinyl)-2,1,3-benzoxadiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.33 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Anilino-4-nitro-7-(1-piperidinyl)-2,1,3-benzoxadiazole. Following Lipinski's Rule of Five, 5-Anilino-4-nitro-7-(1-piperidinyl)-2,1,3-benzoxadiazole has 1 hydrogen bond donor(s) and 7 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-Anilino-4-nitro-7-(1-piperidinyl)-2,1,3-benzoxadiazole?
The CAS number of 5-Anilino-4-nitro-7-(1-piperidinyl)-2,1,3-benzoxadiazole is 353507-69-4.
What is the molecular formula of 5-Anilino-4-nitro-7-(1-piperidinyl)-2,1,3-benzoxadiazole?
The molecular formula of 5-Anilino-4-nitro-7-(1-piperidinyl)-2,1,3-benzoxadiazole is C17H17N5O3.
What is the molecular weight of 5-Anilino-4-nitro-7-(1-piperidinyl)-2,1,3-benzoxadiazole?
The molecular weight of 5-Anilino-4-nitro-7-(1-piperidinyl)-2,1,3-benzoxadiazole is 339.13 g/mol.
Where can I buy 5-Anilino-4-nitro-7-(1-piperidinyl)-2,1,3-benzoxadiazole?
You can request a quote for 5-Anilino-4-nitro-7-(1-piperidinyl)-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-Anilino-4-nitro-7-(1-piperidinyl)-2,1,3-benzoxadiazole?
Yes, KEHONG BIO provides custom synthesis services for 5-Anilino-4-nitro-7-(1-piperidinyl)-2,1,3-benzoxadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.