2-({7-(Diethylamino)-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)ethanol
TL;DR: 2-({7-(Diethylamino)-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)ethanol (CAS 491615-10-2) is a chemical compound with molecular formula C12H17N5O4 and molecular weight 295.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[7-(diethylamino)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]ethanol
Also Known As: BAS 01237176, 2-((7-(diethylamino)-4-nitrobenzo[c][1,2,5]oxadiazol-5-yl)amino)ethanol, 2-({7-(diethylamino)-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)ethanol, 2-(7-Diethylamino-4-nitro-benzo[1,2,5]oxadiazol-5-ylamino)-ethanol, 2-[[7-(diethylamino)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]ethanol
| Molecular Formula | C12H17N5O4 |
|---|---|
| Molecular Weight | 295.13 g/mol |
| LogP | 1.3814 |
| Topological Polar Surface Area | 117.56 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 295.12805 |
| Heavy Atoms | 21 |
| Complexity | 637.8547 |
Chemical Identifiers
| CAS Number | 491615-10-2 |
|---|---|
| SMILES | CCN(CC)C1=CC(=C(C2=NON=C12)[N+](=O)[O-])NCCO |
Product Overview
2-({7-(Diethylamino)-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)ethanol (CAS 491615-10-2), with molecular formula C12H17N5O4 and molecular weight 295.13 g/mol. IUPAC: 2-[[7-(diethylamino)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]ethanol.
Chemical Property Profile of 2-({7-(Diethylamino)-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)ethanol
Property Insights of 2-({7-(Diethylamino)-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)ethanol
The XLogP value of 1.3814 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-({7-(Diethylamino)-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)ethanol. The TPSA of 117.56 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-({7-(Diethylamino)-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)ethanol. Following Lipinski's Rule of Five, 2-({7-(Diethylamino)-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)ethanol has 2 hydrogen bond donor(s) and 8 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 2-({7-(Diethylamino)-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)ethanol?
The CAS number of 2-({7-(Diethylamino)-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)ethanol is 491615-10-2.
What is the molecular formula of 2-({7-(Diethylamino)-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)ethanol?
The molecular formula of 2-({7-(Diethylamino)-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)ethanol is C12H17N5O4.
What is the molecular weight of 2-({7-(Diethylamino)-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)ethanol?
The molecular weight of 2-({7-(Diethylamino)-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)ethanol is 295.13 g/mol.
Where can I buy 2-({7-(Diethylamino)-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)ethanol?
You can request a quote for 2-({7-(Diethylamino)-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)ethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-({7-(Diethylamino)-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)ethanol?
Yes, KEHONG BIO provides custom synthesis services for 2-({7-(Diethylamino)-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)ethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.