![1-(4-{[7-(Ethylamino)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}phenyl)ethanone structure](/static/products/799/799808-76-7.png)
1-(4-{[7-(Ethylamino)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}phenyl)ethanone
TL;DR: 1-(4-{[7-(Ethylamino)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}phenyl)ethanone (CAS 799808-76-7) is a chemical compound with molecular formula C16H15N5O4 and molecular weight 341.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-[[7-(ethylamino)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]phenyl]ethanone
Also Known As: 1-(4-((7-(ethylamino)-4-nitrobenzo[c][1,2,5]oxadiazol-5-yl)amino)phenyl)ethanone, 1-(4-{[7-(ethylamino)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}phenyl)ethanone, 1-[4-[[7-(ethylamino)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]phenyl]ethanone
| Molecular Formula | C16H15N5O4 |
|---|---|
| Molecular Weight | 341.11 g/mol |
| LogP | 3.509 |
| Topological Polar Surface Area | 123.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 341.1124 |
| Heavy Atoms | 25 |
| Complexity | 949.06354 |
Chemical Identifiers
| CAS Number | 799808-76-7 |
|---|---|
| SMILES | CCNC1=CC(=C(C2=NON=C12)[N+](=O)[O-])NC3=CC=C(C=C3)C(=O)C |
Product Overview
1-(4-{[7-(Ethylamino)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}phenyl)ethanone (CAS 799808-76-7), with molecular formula C16H15N5O4 and molecular weight 341.11 g/mol. IUPAC: 1-[4-[[7-(ethylamino)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]phenyl]ethanone.
Chemical Property Profile of 1-(4-{[7-(Ethylamino)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}phenyl)ethanone
Property Insights of 1-(4-{[7-(Ethylamino)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}phenyl)ethanone
The XLogP value of 3.509 indicates that 1-(4-{[7-(Ethylamino)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}phenyl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 123.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-{[7-(Ethylamino)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}phenyl)ethanone. Following Lipinski's Rule of Five, 1-(4-{[7-(Ethylamino)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}phenyl)ethanone 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 1-(4-{[7-(Ethylamino)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}phenyl)ethanone?
The CAS number of 1-(4-{[7-(Ethylamino)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}phenyl)ethanone is 799808-76-7.
What is the molecular formula of 1-(4-{[7-(Ethylamino)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}phenyl)ethanone?
The molecular formula of 1-(4-{[7-(Ethylamino)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}phenyl)ethanone is C16H15N5O4.
What is the molecular weight of 1-(4-{[7-(Ethylamino)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}phenyl)ethanone?
The molecular weight of 1-(4-{[7-(Ethylamino)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}phenyl)ethanone is 341.11 g/mol.
Where can I buy 1-(4-{[7-(Ethylamino)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}phenyl)ethanone?
You can request a quote for 1-(4-{[7-(Ethylamino)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}phenyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-{[7-(Ethylamino)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}phenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-{[7-(Ethylamino)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}phenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.