![1,4-Benzenediamine, N,N-dimethyl-N'-[(5-nitro-2-thienyl)methylene]- structure](/static/products/1268/126893-36-5.webp)
1,4-Benzenediamine, N,N-dimethyl-N'-[(5-nitro-2-thienyl)methylene]-
TL;DR: 1,4-Benzenediamine, N,N-dimethyl-N'-[(5-nitro-2-thienyl)methylene]- (CAS 126893-36-5) is a chemical compound with molecular formula C13H13N3O2S and molecular weight 275.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dimethyl-4-[(5-nitrothiophen-2-yl)methylideneamino]aniline
Also Known As: BIDD:GT0321, 1,4-Benzenediamine, N,N-dimethyl-N'-[(5-nitro-2-thienyl)methylene]-, N,N-dimethyl-4-[(5-nitrothiophen-2-yl)methylideneamino]aniline, N,N-Dimethyl-4-{(E)-[(5-nitrothiophen-2-yl)methylidene]amino}aniline, N,N-dimethyl-N -((5-nitro-2-thienyl)methylene)-1,4-phenylenediamine
| Molecular Formula | C13H13N3O2S |
|---|---|
| Molecular Weight | 275.07 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 89.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 275.07285 |
| Heavy Atoms | 19 |
| Complexity | 335.0 |
Chemical Identifiers
| CAS Number | 126893-36-5 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)N=CC2=CC=C(S2)[N+](=O)[O-] |
| InChIKey | BQYOZFZNJSSFPC-UHFFFAOYSA-N |
Product Overview
1,4-Benzenediamine, N,N-dimethyl-N'-[(5-nitro-2-thienyl)methylene]- (CAS 126893-36-5), with molecular formula C13H13N3O2S and molecular weight 275.07 g/mol. IUPAC: N,N-dimethyl-4-[(5-nitrothiophen-2-yl)methylideneamino]aniline.
Chemical Property Profile of 1,4-Benzenediamine, N,N-dimethyl-N'-[(5-nitro-2-thienyl)methylene]-
Property Insights of 1,4-Benzenediamine, N,N-dimethyl-N'-[(5-nitro-2-thienyl)methylene]-
The XLogP value of 3.5 indicates that 1,4-Benzenediamine, N,N-dimethyl-N'-[(5-nitro-2-thienyl)methylene]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Benzenediamine, N,N-dimethyl-N'-[(5-nitro-2-thienyl)methylene]-. Following Lipinski's Rule of Five, 1,4-Benzenediamine, N,N-dimethyl-N'-[(5-nitro-2-thienyl)methylene]- has 0 hydrogen bond donor(s) and 5 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 1,4-Benzenediamine, N,N-dimethyl-N'-[(5-nitro-2-thienyl)methylene]-?
The CAS number of 1,4-Benzenediamine, N,N-dimethyl-N'-[(5-nitro-2-thienyl)methylene]- is 126893-36-5.
What is the molecular formula of 1,4-Benzenediamine, N,N-dimethyl-N'-[(5-nitro-2-thienyl)methylene]-?
The molecular formula of 1,4-Benzenediamine, N,N-dimethyl-N'-[(5-nitro-2-thienyl)methylene]- is C13H13N3O2S.
What is the molecular weight of 1,4-Benzenediamine, N,N-dimethyl-N'-[(5-nitro-2-thienyl)methylene]-?
The molecular weight of 1,4-Benzenediamine, N,N-dimethyl-N'-[(5-nitro-2-thienyl)methylene]- is 275.07 g/mol.
Where can I buy 1,4-Benzenediamine, N,N-dimethyl-N'-[(5-nitro-2-thienyl)methylene]-?
You can request a quote for 1,4-Benzenediamine, N,N-dimethyl-N'-[(5-nitro-2-thienyl)methylene]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Benzenediamine, N,N-dimethyl-N'-[(5-nitro-2-thienyl)methylene]-?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Benzenediamine, N,N-dimethyl-N'-[(5-nitro-2-thienyl)methylene]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.