7-(1-Azepanyl)-5-(2,5-dichloroanilino)-4-nitro-2,1,3-benzoxadiazole
TL;DR: 7-(1-Azepanyl)-5-(2,5-dichloroanilino)-4-nitro-2,1,3-benzoxadiazole (CAS 353507-46-7) is a chemical compound with molecular formula C18H17Cl2N5O3 and molecular weight 421.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(azepan-1-yl)-N-(2,5-dichlorophenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine
Also Known As: 7-(1-azepanyl)-5-(2,5-dichloroanilino)-4-nitro-2,1,3-benzoxadiazole, AN-604/13239049, 7-(azepan-1-yl)-N-(2,5-dichlorophenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine, 7-(azepan-1-yl)-N-(2,5-dichlorophenyl)-4-nitrobenzo[c][1,2,5]oxadiazol-5-amine
| Molecular Formula | C18H17Cl2N5O3 |
|---|---|
| Molecular Weight | 421.07 g/mol |
| LogP | 5.5618 |
| Topological Polar Surface Area | 97.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 421.07083 |
| Heavy Atoms | 28 |
| Complexity | 1031.4781 |
Chemical Identifiers
| CAS Number | 353507-46-7 |
|---|---|
| SMILES | C1CCCN(CC1)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])NC4=C(C=CC(=C4)Cl)Cl |
Product Overview
7-(1-Azepanyl)-5-(2,5-dichloroanilino)-4-nitro-2,1,3-benzoxadiazole (CAS 353507-46-7), with molecular formula C18H17Cl2N5O3 and molecular weight 421.07 g/mol. IUPAC: 7-(azepan-1-yl)-N-(2,5-dichlorophenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine.
Chemical Property Profile of 7-(1-Azepanyl)-5-(2,5-dichloroanilino)-4-nitro-2,1,3-benzoxadiazole
Property Insights of 7-(1-Azepanyl)-5-(2,5-dichloroanilino)-4-nitro-2,1,3-benzoxadiazole
The XLogP value of 5.5618 indicates that 7-(1-Azepanyl)-5-(2,5-dichloroanilino)-4-nitro-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 7-(1-Azepanyl)-5-(2,5-dichloroanilino)-4-nitro-2,1,3-benzoxadiazole. Following Lipinski's Rule of Five, 7-(1-Azepanyl)-5-(2,5-dichloroanilino)-4-nitro-2,1,3-benzoxadiazole has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 7-(1-Azepanyl)-5-(2,5-dichloroanilino)-4-nitro-2,1,3-benzoxadiazole?
The CAS number of 7-(1-Azepanyl)-5-(2,5-dichloroanilino)-4-nitro-2,1,3-benzoxadiazole is 353507-46-7.
What is the molecular formula of 7-(1-Azepanyl)-5-(2,5-dichloroanilino)-4-nitro-2,1,3-benzoxadiazole?
The molecular formula of 7-(1-Azepanyl)-5-(2,5-dichloroanilino)-4-nitro-2,1,3-benzoxadiazole is C18H17Cl2N5O3.
What is the molecular weight of 7-(1-Azepanyl)-5-(2,5-dichloroanilino)-4-nitro-2,1,3-benzoxadiazole?
The molecular weight of 7-(1-Azepanyl)-5-(2,5-dichloroanilino)-4-nitro-2,1,3-benzoxadiazole is 421.07 g/mol.
Where can I buy 7-(1-Azepanyl)-5-(2,5-dichloroanilino)-4-nitro-2,1,3-benzoxadiazole?
You can request a quote for 7-(1-Azepanyl)-5-(2,5-dichloroanilino)-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 7-(1-Azepanyl)-5-(2,5-dichloroanilino)-4-nitro-2,1,3-benzoxadiazole?
Yes, KEHONG BIO provides custom synthesis services for 7-(1-Azepanyl)-5-(2,5-dichloroanilino)-4-nitro-2,1,3-benzoxadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.