![(6E)-6-[(2-nitroanilino)methylidene]cyclohexa-2,4-dien-1-one structure](/static/products/2964/29644-79-9.webp)
(6E)-6-[(2-nitroanilino)methylidene]cyclohexa-2,4-dien-1-one
TL;DR: (6E)-6-[(2-nitroanilino)methylidene]cyclohexa-2,4-dien-1-one (CAS 29644-79-9) is a chemical compound with molecular formula C13H10N2O3 and molecular weight 242.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-nitrophenyl)iminomethyl]phenol
Also Known As: NCIOpen2_007037, 2-(2-Nitrophenyliminomethyl)phenol, 2-[(2-Nitrophenylimino)methyl]phenol, 2-{[(2-nitrophenyl)imino]methyl}phenol, 2-[(E)-(2-nitrophenyl)iminomethyl]phenol
| Molecular Formula | C13H10N2O3 |
|---|---|
| Molecular Weight | 242.07 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 78.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 242.06914 |
| Heavy Atoms | 18 |
| Complexity | 314.0 |
Chemical Identifiers
| CAS Number | 29644-79-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C=NC2=CC=CC=C2[N+](=O)[O-])O |
| InChIKey | CQNTZLDBXMDWHG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(6E)-6-[(2-nitroanilino)methylidene]cyclohexa-2,4-dien-1-one (CAS 29644-79-9), with molecular formula C13H10N2O3 and molecular weight 242.07 g/mol. IUPAC: 2-[(2-nitrophenyl)iminomethyl]phenol.
Chemical Property Profile of (6E)-6-[(2-nitroanilino)methylidene]cyclohexa-2,4-dien-1-one
Property Insights of (6E)-6-[(2-nitroanilino)methylidene]cyclohexa-2,4-dien-1-one
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (6E)-6-[(2-nitroanilino)methylidene]cyclohexa-2,4-dien-1-one. The TPSA of 78.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (6E)-6-[(2-nitroanilino)methylidene]cyclohexa-2,4-dien-1-one. Following Lipinski's Rule of Five, (6E)-6-[(2-nitroanilino)methylidene]cyclohexa-2,4-dien-1-one has 1 hydrogen bond donor(s) and 4 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 (6E)-6-[(2-nitroanilino)methylidene]cyclohexa-2,4-dien-1-one?
The CAS number of (6E)-6-[(2-nitroanilino)methylidene]cyclohexa-2,4-dien-1-one is 29644-79-9.
What is the molecular formula of (6E)-6-[(2-nitroanilino)methylidene]cyclohexa-2,4-dien-1-one?
The molecular formula of (6E)-6-[(2-nitroanilino)methylidene]cyclohexa-2,4-dien-1-one is C13H10N2O3.
What is the molecular weight of (6E)-6-[(2-nitroanilino)methylidene]cyclohexa-2,4-dien-1-one?
The molecular weight of (6E)-6-[(2-nitroanilino)methylidene]cyclohexa-2,4-dien-1-one is 242.07 g/mol.
Where can I buy (6E)-6-[(2-nitroanilino)methylidene]cyclohexa-2,4-dien-1-one?
You can request a quote for (6E)-6-[(2-nitroanilino)methylidene]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 (6E)-6-[(2-nitroanilino)methylidene]cyclohexa-2,4-dien-1-one?
Yes, KEHONG BIO provides custom synthesis services for (6E)-6-[(2-nitroanilino)methylidene]cyclohexa-2,4-dien-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.