![3-[(7-Chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]phenol structure](/static/products/3140/314030-68-7.webp)
3-[(7-Chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]phenol
TL;DR: 3-[(7-Chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]phenol (CAS 314030-68-7) is a chemical compound with molecular formula C12H7ClN4O4 and molecular weight 306.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(7-chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]phenol
Also Known As: O-acyl oxime isatin derivative, 48, BAS 01237254, 3-[(7-chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]phenol, 3-(7-Chloro-4-nitro-benzo[1,2,5]oxadiazol-5-ylamino)-phenol, 3-[(7-chloro-4-nitro-benzofurazan-5-yl)amino]phenol
| Molecular Formula | C12H7ClN4O4 |
|---|---|
| Molecular Weight | 306.02 g/mol |
| LogP | 3.2336 |
| Topological Polar Surface Area | 114.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 306.0156 |
| Heavy Atoms | 21 |
| Complexity | 848.3898 |
Chemical Identifiers
| CAS Number | 314030-68-7 |
|---|---|
| SMILES | C1=CC(=CC(=C1)O)NC2=C(C3=NON=C3C(=C2)Cl)[N+](=O)[O-] |
Product Overview
3-[(7-Chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]phenol (CAS 314030-68-7), with molecular formula C12H7ClN4O4 and molecular weight 306.02 g/mol. IUPAC: 3-[(7-chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]phenol.
Chemical Property Profile of 3-[(7-Chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]phenol
Property Insights of 3-[(7-Chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]phenol
The XLogP value of 3.2336 indicates that 3-[(7-Chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]phenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.32 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(7-Chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]phenol. Following Lipinski's Rule of Five, 3-[(7-Chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]phenol 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 3-[(7-Chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]phenol?
The CAS number of 3-[(7-Chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]phenol is 314030-68-7.
What is the molecular formula of 3-[(7-Chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]phenol?
The molecular formula of 3-[(7-Chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]phenol is C12H7ClN4O4.
What is the molecular weight of 3-[(7-Chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]phenol?
The molecular weight of 3-[(7-Chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]phenol is 306.02 g/mol.
Where can I buy 3-[(7-Chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]phenol?
You can request a quote for 3-[(7-Chloro-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 3-[(7-Chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]phenol?
Yes, KEHONG BIO provides custom synthesis services for 3-[(7-Chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.