1,4-Benzenediamine, N-(5-chloro-2-nitrobenzo(b)thien-3-yl)-N',N'-diethyl-
TL;DR: 1,4-Benzenediamine, N-(5-chloro-2-nitrobenzo(b)thien-3-yl)-N',N'-diethyl- (CAS 149338-24-9) is a chemical compound with molecular formula C18H18ClN3O2S and molecular weight 375.08 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-diethylbenzene-1,4-diamine
Also Known As: 1,4-Benzenediamine, N-(5-chloro-2-nitrobenzo(b)thien-3-yl)-N',N'-diethyl-, N-(5-Chloro-2-nitrobenzo(b)thien-3-yl)-N',N'-diethyl-1,4-benzenediamine, N-[4-(Diethylamino)phenyl]-5-chloro-2-nitrobenzo[b]thiophen-3-amine, 1-N-(5-chloro-2-nitro-1-benzothiophen-3-yl)-4-N,4-N-diethylbenzene-1,4-diamine, N~4~-(5-Chloro-2-nitro-1-benzothiophen-3-yl)-N~1~,N~1~-diethylbenzene-1,4-diamine
| Molecular Formula | C18H18ClN3O2S |
|---|---|
| Molecular Weight | 375.08 g/mol |
| LogP | 6.0527 |
| Topological Polar Surface Area | 58.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 375.0808 |
| Heavy Atoms | 25 |
| Complexity | 904.5752 |
Chemical Identifiers
| CAS Number | 149338-24-9 |
|---|---|
| SMILES | CCN(CC)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'-diethyl- (CAS 149338-24-9), with molecular formula C18H18ClN3O2S and molecular weight 375.08 g/mol. IUPAC: 1-N-(5-chloro-2-nitro-1-benzothiophen-3-yl)-4-N,4-N-diethylbenzene-1,4-diamine.
Chemical Property Profile of 1,4-Benzenediamine, N-(5-chloro-2-nitrobenzo(b)thien-3-yl)-N',N'-diethyl-
Property Insights of 1,4-Benzenediamine, N-(5-chloro-2-nitrobenzo(b)thien-3-yl)-N',N'-diethyl-
The XLogP value of 6.0527 indicates that 1,4-Benzenediamine, N-(5-chloro-2-nitrobenzo(b)thien-3-yl)-N',N'-diethyl- 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'-diethyl- 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'-diethyl- 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'-diethyl-?
The CAS number of 1,4-Benzenediamine, N-(5-chloro-2-nitrobenzo(b)thien-3-yl)-N',N'-diethyl- is 149338-24-9.
What is the molecular formula of 1,4-Benzenediamine, N-(5-chloro-2-nitrobenzo(b)thien-3-yl)-N',N'-diethyl-?
The molecular formula of 1,4-Benzenediamine, N-(5-chloro-2-nitrobenzo(b)thien-3-yl)-N',N'-diethyl- is C18H18ClN3O2S.
What is the molecular weight of 1,4-Benzenediamine, N-(5-chloro-2-nitrobenzo(b)thien-3-yl)-N',N'-diethyl-?
The molecular weight of 1,4-Benzenediamine, N-(5-chloro-2-nitrobenzo(b)thien-3-yl)-N',N'-diethyl- is 375.08 g/mol.
Where can I buy 1,4-Benzenediamine, N-(5-chloro-2-nitrobenzo(b)thien-3-yl)-N',N'-diethyl-?
You can request a quote for 1,4-Benzenediamine, N-(5-chloro-2-nitrobenzo(b)thien-3-yl)-N',N'-diethyl- 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'-diethyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Benzenediamine, N-(5-chloro-2-nitrobenzo(b)thien-3-yl)-N',N'-diethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.