5-Benzylamino-7-chloro-4-nitrobenzofurazan
TL;DR: 5-Benzylamino-7-chloro-4-nitrobenzofurazan (CAS 18378-21-7) 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-benzyl-7-chloro-4-nitro-2,1,3-benzoxadiazol-5-amine
Also Known As: 5-Benzylamino-7-chloro-4-nitrobenzofurazan, N-benzyl-4-nitro-2,1,3-benzoxadiazol-5-amine, N-benzyl-7-chloro-4-nitro-2,1,3-benzoxadiazol-5-amine, 5-(Benzylamino)-7-chloro-4-nitro-2,1,3-benzoxadiazole, N-benzyl-7-chloro-4-nitrobenzo[c][1,2,5]oxadiazol-5-amine
| Molecular Formula | C13H9ClN4O3 |
|---|---|
| Molecular Weight | 304.04 g/mol |
| LogP | 3.3965 |
| Topological Polar Surface Area | 94.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 304.03632 |
| Heavy Atoms | 21 |
| Complexity | 803.7865 |
Chemical Identifiers
| CAS Number | 18378-21-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC2=C(C3=NON=C3C(=C2)Cl)[N+](=O)[O-] |
Product Overview
5-Benzylamino-7-chloro-4-nitrobenzofurazan (CAS 18378-21-7), with molecular formula C13H9ClN4O3 and molecular weight 304.04 g/mol. IUPAC: N-benzyl-7-chloro-4-nitro-2,1,3-benzoxadiazol-5-amine.
Chemical Property Profile of 5-Benzylamino-7-chloro-4-nitrobenzofurazan
Property Insights of 5-Benzylamino-7-chloro-4-nitrobenzofurazan
The XLogP value of 3.3965 indicates that 5-Benzylamino-7-chloro-4-nitrobenzofurazan 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-Benzylamino-7-chloro-4-nitrobenzofurazan. Following Lipinski's Rule of Five, 5-Benzylamino-7-chloro-4-nitrobenzofurazan 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-Benzylamino-7-chloro-4-nitrobenzofurazan?
The CAS number of 5-Benzylamino-7-chloro-4-nitrobenzofurazan is 18378-21-7.
What is the molecular formula of 5-Benzylamino-7-chloro-4-nitrobenzofurazan?
The molecular formula of 5-Benzylamino-7-chloro-4-nitrobenzofurazan is C13H9ClN4O3.
What is the molecular weight of 5-Benzylamino-7-chloro-4-nitrobenzofurazan?
The molecular weight of 5-Benzylamino-7-chloro-4-nitrobenzofurazan is 304.04 g/mol.
Where can I buy 5-Benzylamino-7-chloro-4-nitrobenzofurazan?
You can request a quote for 5-Benzylamino-7-chloro-4-nitrobenzofurazan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Benzylamino-7-chloro-4-nitrobenzofurazan?
Yes, KEHONG BIO provides custom synthesis services for 5-Benzylamino-7-chloro-4-nitrobenzofurazan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.