7-chloro-N~5~,N~5~-diethyl-2,1,3-benzoxadiazole-4,5-diamine
TL;DR: 7-chloro-N~5~,N~5~-diethyl-2,1,3-benzoxadiazole-4,5-diamine (CAS 887833-33-2) is a chemical compound with molecular formula C10H13ClN4O and molecular weight 240.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-5-N,5-N-diethyl-2,1,3-benzoxadiazole-4,5-diamine
Also Known As: 7-chloro-N~5~,N~5~-diethyl-2,1,3-benzoxadiazole-4,5-diamine, 7-chloro-5-N,5-N-diethyl-2,1,3-benzoxadiazole-4,5-diamine, 7-chloro-N5,N5-diethylbenzo[c][1,2,5]oxadiazole-4,5-diamine, 7-Chloro-N*5*,N*5*-diethyl-benzo[1,2,5]oxadiazole-4,5-diamine
| Molecular Formula | C10H13ClN4O |
|---|---|
| Molecular Weight | 240.08 g/mol |
| LogP | 2.3046 |
| Topological Polar Surface Area | 68.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 240.07779 |
| Heavy Atoms | 16 |
| Complexity | 506.7335 |
Chemical Identifiers
| CAS Number | 887833-33-2 |
|---|---|
| SMILES | CCN(CC)C1=C(C2=NON=C2C(=C1)Cl)N |
Product Overview
7-chloro-N~5~,N~5~-diethyl-2,1,3-benzoxadiazole-4,5-diamine (CAS 887833-33-2), with molecular formula C10H13ClN4O and molecular weight 240.08 g/mol. IUPAC: 7-chloro-5-N,5-N-diethyl-2,1,3-benzoxadiazole-4,5-diamine.
Chemical Property Profile of 7-chloro-N~5~,N~5~-diethyl-2,1,3-benzoxadiazole-4,5-diamine
Property Insights of 7-chloro-N~5~,N~5~-diethyl-2,1,3-benzoxadiazole-4,5-diamine
The XLogP value of 2.3046 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-chloro-N~5~,N~5~-diethyl-2,1,3-benzoxadiazole-4,5-diamine. The TPSA of 68.18 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-chloro-N~5~,N~5~-diethyl-2,1,3-benzoxadiazole-4,5-diamine. Following Lipinski's Rule of Five, 7-chloro-N~5~,N~5~-diethyl-2,1,3-benzoxadiazole-4,5-diamine has 1 hydrogen bond donor(s) and 5 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~5~,N~5~-diethyl-2,1,3-benzoxadiazole-4,5-diamine?
The CAS number of 7-chloro-N~5~,N~5~-diethyl-2,1,3-benzoxadiazole-4,5-diamine is 887833-33-2.
What is the molecular formula of 7-chloro-N~5~,N~5~-diethyl-2,1,3-benzoxadiazole-4,5-diamine?
The molecular formula of 7-chloro-N~5~,N~5~-diethyl-2,1,3-benzoxadiazole-4,5-diamine is C10H13ClN4O.
What is the molecular weight of 7-chloro-N~5~,N~5~-diethyl-2,1,3-benzoxadiazole-4,5-diamine?
The molecular weight of 7-chloro-N~5~,N~5~-diethyl-2,1,3-benzoxadiazole-4,5-diamine is 240.08 g/mol.
Where can I buy 7-chloro-N~5~,N~5~-diethyl-2,1,3-benzoxadiazole-4,5-diamine?
You can request a quote for 7-chloro-N~5~,N~5~-diethyl-2,1,3-benzoxadiazole-4,5-diamine 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~5~,N~5~-diethyl-2,1,3-benzoxadiazole-4,5-diamine?
Yes, KEHONG BIO provides custom synthesis services for 7-chloro-N~5~,N~5~-diethyl-2,1,3-benzoxadiazole-4,5-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.