1,4-Benzenediamine, N,N-dimethyl-N'-(2-nitrobenzo(b)thien-3-yl)-
TL;DR: 1,4-Benzenediamine, N,N-dimethyl-N'-(2-nitrobenzo(b)thien-3-yl)- (CAS 128554-91-6) is a chemical compound with molecular formula C16H15N3O2S and molecular weight 313.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-N,4-N-dimethyl-1-N-(2-nitro-1-benzothiophen-3-yl)benzene-1,4-diamine
Also Known As: 1,4-Benzenediamine, N,N-dimethyl-N'-(2-nitrobenzo(b)thien-3-yl)-, N,N-Dimethyl-N'-(2-nitrobenzo(b)thien-3-yl)-1,4-benzenediamine, 4-N,4-N-dimethyl-1-N-(2-nitro-1-benzothiophen-3-yl)benzene-1,4-diamine, N-[4-(Dimethylamino)phenyl]-2-nitro-1-benzothiophene-3-amine, N-[4-(Dimethylamino)phenyl]-2-nitrobenzo[b]thiophen-3-amine
| Molecular Formula | C16H15N3O2S |
|---|---|
| Molecular Weight | 313.09 g/mol |
| LogP | 4.6191 |
| Topological Polar Surface Area | 58.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 313.0885 |
| Heavy Atoms | 22 |
| Complexity | 825.02814 |
Chemical Identifiers
| CAS Number | 128554-91-6 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)NC2=C(SC3=CC=CC=C32)[N+](=O)[O-] |
Product Overview
1,4-Benzenediamine, N,N-dimethyl-N'-(2-nitrobenzo(b)thien-3-yl)- (CAS 128554-91-6), with molecular formula C16H15N3O2S and molecular weight 313.09 g/mol. IUPAC: 4-N,4-N-dimethyl-1-N-(2-nitro-1-benzothiophen-3-yl)benzene-1,4-diamine.
Chemical Property Profile of 1,4-Benzenediamine, N,N-dimethyl-N'-(2-nitrobenzo(b)thien-3-yl)-
Property Insights of 1,4-Benzenediamine, N,N-dimethyl-N'-(2-nitrobenzo(b)thien-3-yl)-
The XLogP value of 4.6191 indicates that 1,4-Benzenediamine, N,N-dimethyl-N'-(2-nitrobenzo(b)thien-3-yl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.41 Ų, 1,4-Benzenediamine, N,N-dimethyl-N'-(2-nitrobenzo(b)thien-3-yl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Benzenediamine, N,N-dimethyl-N'-(2-nitrobenzo(b)thien-3-yl)- has 1 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'-(2-nitrobenzo(b)thien-3-yl)-?
The CAS number of 1,4-Benzenediamine, N,N-dimethyl-N'-(2-nitrobenzo(b)thien-3-yl)- is 128554-91-6.
What is the molecular formula of 1,4-Benzenediamine, N,N-dimethyl-N'-(2-nitrobenzo(b)thien-3-yl)-?
The molecular formula of 1,4-Benzenediamine, N,N-dimethyl-N'-(2-nitrobenzo(b)thien-3-yl)- is C16H15N3O2S.
What is the molecular weight of 1,4-Benzenediamine, N,N-dimethyl-N'-(2-nitrobenzo(b)thien-3-yl)-?
The molecular weight of 1,4-Benzenediamine, N,N-dimethyl-N'-(2-nitrobenzo(b)thien-3-yl)- is 313.09 g/mol.
Where can I buy 1,4-Benzenediamine, N,N-dimethyl-N'-(2-nitrobenzo(b)thien-3-yl)-?
You can request a quote for 1,4-Benzenediamine, N,N-dimethyl-N'-(2-nitrobenzo(b)thien-3-yl)- 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'-(2-nitrobenzo(b)thien-3-yl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Benzenediamine, N,N-dimethyl-N'-(2-nitrobenzo(b)thien-3-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.