![6-[(4-Nitro-1,3-dihydro-2,1,3-benzoxadiazol-7-yl)imino]cyclohexa-2,4-dien-1-one structure](/static/products/101/101237-23-4.png)
6-[(4-Nitro-1,3-dihydro-2,1,3-benzoxadiazol-7-yl)imino]cyclohexa-2,4-dien-1-one
TL;DR: 6-[(4-Nitro-1,3-dihydro-2,1,3-benzoxadiazol-7-yl)imino]cyclohexa-2,4-dien-1-one (CAS 101237-23-4) is a chemical compound with molecular formula C12H8N4O4 and molecular weight 272.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]phenol
Also Known As: BAS 01237091, 2-(7-Nitro-benzo[1,2,5]oxadiazol-4-ylamino)-phenol, N-(2-Hydroxyphenyl)-4-amino-7-nitrobenz-2,1,3-oxadiazol, 2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]phenol, 2-({7-nitro-2,1,3-benzoxadiazol-4-yl}amino)phenol
| Molecular Formula | C12H8N4O4 |
|---|---|
| Molecular Weight | 272.05 g/mol |
| LogP | 2.5802 |
| Topological Polar Surface Area | 114.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 272.05457 |
| Heavy Atoms | 20 |
| Complexity | 799.0066 |
Chemical Identifiers
| CAS Number | 101237-23-4 |
|---|---|
| SMILES | C1=CC=C(C(=C1)NC2=CC=C(C3=NON=C23)[N+](=O)[O-])O |
Product Overview
6-[(4-Nitro-1,3-dihydro-2,1,3-benzoxadiazol-7-yl)imino]cyclohexa-2,4-dien-1-one (CAS 101237-23-4), with molecular formula C12H8N4O4 and molecular weight 272.05 g/mol. IUPAC: 2-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]phenol.
Chemical Property Profile of 6-[(4-Nitro-1,3-dihydro-2,1,3-benzoxadiazol-7-yl)imino]cyclohexa-2,4-dien-1-one
Property Insights of 6-[(4-Nitro-1,3-dihydro-2,1,3-benzoxadiazol-7-yl)imino]cyclohexa-2,4-dien-1-one
The XLogP value of 2.5802 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-[(4-Nitro-1,3-dihydro-2,1,3-benzoxadiazol-7-yl)imino]cyclohexa-2,4-dien-1-one. The TPSA of 114.32 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-[(4-Nitro-1,3-dihydro-2,1,3-benzoxadiazol-7-yl)imino]cyclohexa-2,4-dien-1-one. Following Lipinski's Rule of Five, 6-[(4-Nitro-1,3-dihydro-2,1,3-benzoxadiazol-7-yl)imino]cyclohexa-2,4-dien-1-one has 2 hydrogen bond donor(s) and 7 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 6-[(4-Nitro-1,3-dihydro-2,1,3-benzoxadiazol-7-yl)imino]cyclohexa-2,4-dien-1-one?
The CAS number of 6-[(4-Nitro-1,3-dihydro-2,1,3-benzoxadiazol-7-yl)imino]cyclohexa-2,4-dien-1-one is 101237-23-4.
What is the molecular formula of 6-[(4-Nitro-1,3-dihydro-2,1,3-benzoxadiazol-7-yl)imino]cyclohexa-2,4-dien-1-one?
The molecular formula of 6-[(4-Nitro-1,3-dihydro-2,1,3-benzoxadiazol-7-yl)imino]cyclohexa-2,4-dien-1-one is C12H8N4O4.
What is the molecular weight of 6-[(4-Nitro-1,3-dihydro-2,1,3-benzoxadiazol-7-yl)imino]cyclohexa-2,4-dien-1-one?
The molecular weight of 6-[(4-Nitro-1,3-dihydro-2,1,3-benzoxadiazol-7-yl)imino]cyclohexa-2,4-dien-1-one is 272.05 g/mol.
Where can I buy 6-[(4-Nitro-1,3-dihydro-2,1,3-benzoxadiazol-7-yl)imino]cyclohexa-2,4-dien-1-one?
You can request a quote for 6-[(4-Nitro-1,3-dihydro-2,1,3-benzoxadiazol-7-yl)imino]cyclohexa-2,4-dien-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-[(4-Nitro-1,3-dihydro-2,1,3-benzoxadiazol-7-yl)imino]cyclohexa-2,4-dien-1-one?
Yes, KEHONG BIO provides custom synthesis services for 6-[(4-Nitro-1,3-dihydro-2,1,3-benzoxadiazol-7-yl)imino]cyclohexa-2,4-dien-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.