![3,5-dichloro-N-[(5-nitro-2-thienyl)methylene]aniline structure](/static/products/817/81747-05-9.png)
3,5-dichloro-N-[(5-nitro-2-thienyl)methylene]aniline
TL;DR: 3,5-dichloro-N-[(5-nitro-2-thienyl)methylene]aniline (CAS 81747-05-9) is a chemical compound with molecular formula C11H6Cl2N2O2S and molecular weight 299.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3,5-dichlorophenyl)-1-(5-nitrothiophen-2-yl)methanimine
Also Known As: 3,5-dichloro-N-[(5-nitro-2-thienyl)methylene]aniline, AN-329/11378218, (3,5-dichlorophenyl)[(5-nitro-2-thienyl)methylene]amine, N-(3,5-dichlorophenyl)-1-(5-nitrothiophen-2-yl)methanimine, 5-[(1E)-2-(3,5-dichlorophenyl)-2-azavinyl]-2-nitrothiophene
| Molecular Formula | C11H6Cl2N2O2S |
|---|---|
| Molecular Weight | 299.95 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 86.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 299.9527 |
| Heavy Atoms | 18 |
| Complexity | 327.0 |
Chemical Identifiers
| CAS Number | 81747-05-9 |
|---|---|
| SMILES | C1=C(SC(=C1)[N+](=O)[O-])C=NC2=CC(=CC(=C2)Cl)Cl |
| InChIKey | DOKUESVGSYWHJF-UHFFFAOYSA-N |
Product Overview
3,5-dichloro-N-[(5-nitro-2-thienyl)methylene]aniline (CAS 81747-05-9), with molecular formula C11H6Cl2N2O2S and molecular weight 299.95 g/mol. IUPAC: N-(3,5-dichlorophenyl)-1-(5-nitrothiophen-2-yl)methanimine.
Chemical Property Profile of 3,5-dichloro-N-[(5-nitro-2-thienyl)methylene]aniline
Property Insights of 3,5-dichloro-N-[(5-nitro-2-thienyl)methylene]aniline
The XLogP value of 4.7 indicates that 3,5-dichloro-N-[(5-nitro-2-thienyl)methylene]aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-dichloro-N-[(5-nitro-2-thienyl)methylene]aniline. Following Lipinski's Rule of Five, 3,5-dichloro-N-[(5-nitro-2-thienyl)methylene]aniline has 0 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 3,5-dichloro-N-[(5-nitro-2-thienyl)methylene]aniline?
The CAS number of 3,5-dichloro-N-[(5-nitro-2-thienyl)methylene]aniline is 81747-05-9.
What is the molecular formula of 3,5-dichloro-N-[(5-nitro-2-thienyl)methylene]aniline?
The molecular formula of 3,5-dichloro-N-[(5-nitro-2-thienyl)methylene]aniline is C11H6Cl2N2O2S.
What is the molecular weight of 3,5-dichloro-N-[(5-nitro-2-thienyl)methylene]aniline?
The molecular weight of 3,5-dichloro-N-[(5-nitro-2-thienyl)methylene]aniline is 299.95 g/mol.
Where can I buy 3,5-dichloro-N-[(5-nitro-2-thienyl)methylene]aniline?
You can request a quote for 3,5-dichloro-N-[(5-nitro-2-thienyl)methylene]aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-dichloro-N-[(5-nitro-2-thienyl)methylene]aniline?
Yes, KEHONG BIO provides custom synthesis services for 3,5-dichloro-N-[(5-nitro-2-thienyl)methylene]aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.