1,4-Benzenediamine, N-(5-chloro-2-nitrobenzo(b)thien-3-yl)-N',N'-dimethyl-
TL;DR: 1,4-Benzenediamine, N-(5-chloro-2-nitrobenzo(b)thien-3-yl)-N',N'-dimethyl- (CAS 149338-23-8) is a chemical compound with molecular formula C16H14ClN3O2S and molecular weight 347.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-N-(5-chloro-2-nitro-1-benzothiophen-3-yl)-4-N,4-N-dimethylbenzene-1,4-diamine
Also Known As: 1,4-Benzenediamine, N-(5-chloro-2-nitrobenzo(b)thien-3-yl)-N',N'-dimethyl-, N-(5-Chloro-2-nitrobenzo(b)thien-3-yl)-N',N'-dimethyl-1,4-benzenediamine, 5-Chloro-N-[p-(dimethylamino)phenyl]-2-nitrobenzo[b]thiophene-3-amine, N-[4-(Dimethylamino)phenyl]-5-chloro-2-nitrobenzo[b]thiophen-3-amine, 1-N-(5-chloro-2-nitro-1-benzothiophen-3-yl)-4-N,4-N-dimethylbenzene-1,4-diamine
| Molecular Formula | C16H14ClN3O2S |
|---|---|
| Molecular Weight | 347.05 g/mol |
| LogP | 5.2725 |
| Topological Polar Surface Area | 58.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 347.04953 |
| Heavy Atoms | 23 |
| Complexity | 874.9128 |
Chemical Identifiers
| CAS Number | 149338-23-8 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)NC2=C(SC3=C2C=C(C=C3)Cl)[N+](=O)[O-] |
Product Overview
1,4-Benzenediamine, N-(5-chloro-2-nitrobenzo(b)thien-3-yl)-N',N'-dimethyl- (CAS 149338-23-8), with molecular formula C16H14ClN3O2S and molecular weight 347.05 g/mol. IUPAC: 1-N-(5-chloro-2-nitro-1-benzothiophen-3-yl)-4-N,4-N-dimethylbenzene-1,4-diamine.
Chemical Property Profile of 1,4-Benzenediamine, N-(5-chloro-2-nitrobenzo(b)thien-3-yl)-N',N'-dimethyl-
Property Insights of 1,4-Benzenediamine, N-(5-chloro-2-nitrobenzo(b)thien-3-yl)-N',N'-dimethyl-
The XLogP value of 5.2725 indicates that 1,4-Benzenediamine, N-(5-chloro-2-nitrobenzo(b)thien-3-yl)-N',N'-dimethyl- 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-(5-chloro-2-nitrobenzo(b)thien-3-yl)-N',N'-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Benzenediamine, N-(5-chloro-2-nitrobenzo(b)thien-3-yl)-N',N'-dimethyl- has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,4-Benzenediamine, N-(5-chloro-2-nitrobenzo(b)thien-3-yl)-N',N'-dimethyl-?
The CAS number of 1,4-Benzenediamine, N-(5-chloro-2-nitrobenzo(b)thien-3-yl)-N',N'-dimethyl- is 149338-23-8.
What is the molecular formula of 1,4-Benzenediamine, N-(5-chloro-2-nitrobenzo(b)thien-3-yl)-N',N'-dimethyl-?
The molecular formula of 1,4-Benzenediamine, N-(5-chloro-2-nitrobenzo(b)thien-3-yl)-N',N'-dimethyl- is C16H14ClN3O2S.
What is the molecular weight of 1,4-Benzenediamine, N-(5-chloro-2-nitrobenzo(b)thien-3-yl)-N',N'-dimethyl-?
The molecular weight of 1,4-Benzenediamine, N-(5-chloro-2-nitrobenzo(b)thien-3-yl)-N',N'-dimethyl- is 347.05 g/mol.
Where can I buy 1,4-Benzenediamine, N-(5-chloro-2-nitrobenzo(b)thien-3-yl)-N',N'-dimethyl-?
You can request a quote for 1,4-Benzenediamine, N-(5-chloro-2-nitrobenzo(b)thien-3-yl)-N',N'-dimethyl- 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-(5-chloro-2-nitrobenzo(b)thien-3-yl)-N',N'-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Benzenediamine, N-(5-chloro-2-nitrobenzo(b)thien-3-yl)-N',N'-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.