1,2-Ethanediamine, N,N-dimethyl-N'-(2-nitrobenzo(b)thien-3-yl)-
TL;DR: 1,2-Ethanediamine, N,N-dimethyl-N'-(2-nitrobenzo(b)thien-3-yl)- (CAS 128554-81-4) is a chemical compound with molecular formula C12H15N3O2S and molecular weight 265.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N',N'-dimethyl-N-(2-nitro-1-benzothiophen-3-yl)ethane-1,2-diamine
Also Known As: 1,2-Ethanediamine, N,N-dimethyl-N'-(2-nitrobenzo(b)thien-3-yl)-, N,N-Dimethyl-N'-(2-nitrobenzo(b)thien-3-yl)-1,2-ethanediamine, N',N'-dimethyl-N-(2-nitro-1-benzothiophen-3-yl)ethane-1,2-diamine, N~1~,N~1~-Dimethyl-N~2~-(2-nitro-1-benzothiophen-3-yl)ethane-1,2-diamine, RefChem:1052346
| Molecular Formula | C12H15N3O2S |
|---|---|
| Molecular Weight | 265.09 g/mol |
| LogP | 2.783 |
| Topological Polar Surface Area | 58.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 265.0885 |
| Heavy Atoms | 18 |
| Complexity | 565.44794 |
Chemical Identifiers
| CAS Number | 128554-81-4 |
|---|---|
| SMILES | CN(C)CCNC1=C(SC2=CC=CC=C21)[N+](=O)[O-] |
Product Overview
1,2-Ethanediamine, N,N-dimethyl-N'-(2-nitrobenzo(b)thien-3-yl)- (CAS 128554-81-4), with molecular formula C12H15N3O2S and molecular weight 265.09 g/mol. IUPAC: N',N'-dimethyl-N-(2-nitro-1-benzothiophen-3-yl)ethane-1,2-diamine.
Chemical Property Profile of 1,2-Ethanediamine, N,N-dimethyl-N'-(2-nitrobenzo(b)thien-3-yl)-
Property Insights of 1,2-Ethanediamine, N,N-dimethyl-N'-(2-nitrobenzo(b)thien-3-yl)-
The XLogP value of 2.783 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Ethanediamine, N,N-dimethyl-N'-(2-nitrobenzo(b)thien-3-yl)-. With a topological polar surface area (TPSA) of 58.41 Ų, 1,2-Ethanediamine, 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, 1,2-Ethanediamine, 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 1,2-Ethanediamine, N,N-dimethyl-N'-(2-nitrobenzo(b)thien-3-yl)-?
The CAS number of 1,2-Ethanediamine, N,N-dimethyl-N'-(2-nitrobenzo(b)thien-3-yl)- is 128554-81-4.
What is the molecular formula of 1,2-Ethanediamine, N,N-dimethyl-N'-(2-nitrobenzo(b)thien-3-yl)-?
The molecular formula of 1,2-Ethanediamine, N,N-dimethyl-N'-(2-nitrobenzo(b)thien-3-yl)- is C12H15N3O2S.
What is the molecular weight of 1,2-Ethanediamine, N,N-dimethyl-N'-(2-nitrobenzo(b)thien-3-yl)-?
The molecular weight of 1,2-Ethanediamine, N,N-dimethyl-N'-(2-nitrobenzo(b)thien-3-yl)- is 265.09 g/mol.
Where can I buy 1,2-Ethanediamine, N,N-dimethyl-N'-(2-nitrobenzo(b)thien-3-yl)-?
You can request a quote for 1,2-Ethanediamine, 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 1,2-Ethanediamine, N,N-dimethyl-N'-(2-nitrobenzo(b)thien-3-yl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Ethanediamine, N,N-dimethyl-N'-(2-nitrobenzo(b)thien-3-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.