![4-{[7-(Dimethylamino)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}phenol structure](/static/products/799/799794-03-9.png)
4-{[7-(Dimethylamino)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}phenol
TL;DR: 4-{[7-(Dimethylamino)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}phenol (CAS 799794-03-9) is a chemical compound with molecular formula C14H13N5O4 and molecular weight 315.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[7-(dimethylamino)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]phenol
Also Known As: 4-{[7-(dimethylamino)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}phenol, 4-((7-(dimethylamino)-4-nitrobenzo[c][1,2,5]oxadiazol-5-yl)amino)phenol, 4-(7-Dimethylamino-4-nitro-benzo[1,2,5]oxadiazol-5-ylamino)-phenol, 4-[[7-(dimethylamino)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]phenol, 4-[[7-(dimethylamino)-4-nitro-1,3-dihydro-2,1,3-benzoxadiazol-5-yl]imino]cyclohexa-2,5-dien-1-one
| Molecular Formula | C14H13N5O4 |
|---|---|
| Molecular Weight | 315.10 g/mol |
| LogP | 2.6462 |
| Topological Polar Surface Area | 117.56 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 315.09674 |
| Heavy Atoms | 23 |
| Complexity | 872.75507 |
Chemical Identifiers
| CAS Number | 799794-03-9 |
|---|---|
| SMILES | CN(C)C1=CC(=C(C2=NON=C12)[N+](=O)[O-])NC3=CC=C(C=C3)O |
Product Overview
4-{[7-(Dimethylamino)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}phenol (CAS 799794-03-9), with molecular formula C14H13N5O4 and molecular weight 315.10 g/mol. IUPAC: 4-[[7-(dimethylamino)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]phenol.
Chemical Property Profile of 4-{[7-(Dimethylamino)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}phenol
Property Insights of 4-{[7-(Dimethylamino)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}phenol
The XLogP value of 2.6462 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{[7-(Dimethylamino)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}phenol. The TPSA of 117.56 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{[7-(Dimethylamino)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}phenol. Following Lipinski's Rule of Five, 4-{[7-(Dimethylamino)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}phenol 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 4-{[7-(Dimethylamino)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}phenol?
The CAS number of 4-{[7-(Dimethylamino)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}phenol is 799794-03-9.
What is the molecular formula of 4-{[7-(Dimethylamino)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}phenol?
The molecular formula of 4-{[7-(Dimethylamino)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}phenol is C14H13N5O4.
What is the molecular weight of 4-{[7-(Dimethylamino)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}phenol?
The molecular weight of 4-{[7-(Dimethylamino)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}phenol is 315.10 g/mol.
Where can I buy 4-{[7-(Dimethylamino)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}phenol?
You can request a quote for 4-{[7-(Dimethylamino)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{[7-(Dimethylamino)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}phenol?
Yes, KEHONG BIO provides custom synthesis services for 4-{[7-(Dimethylamino)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.