1,3-Propanediamine, N,N-dimethyl-N'-(2-nitrobenzo(b)thien-3-yl)-
TL;DR: 1,3-Propanediamine, N,N-dimethyl-N'-(2-nitrobenzo(b)thien-3-yl)- (CAS 128554-82-5) is a chemical compound with molecular formula C13H17N3O2S and molecular weight 279.10 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)propane-1,3-diamine
Also Known As: BAS 12490354, 1,3-Propanediamine, N,N-dimethyl-N'-(2-nitrobenzo(b)thien-3-yl)-, N,N-Dimethyl-N'-(2-nitrobenzo(b)thien-3-yl)-1,3-propanediamine, N',N'-dimethyl-N-(2-nitro-1-benzothiophen-3-yl)propane-1,3-diamine, N,N-Dimethyl-N'-(2-nitro-benzo[b]thiophen-3-yl)-propane-1,3-diamine
| Molecular Formula | C13H17N3O2S |
|---|---|
| Molecular Weight | 279.10 g/mol |
| LogP | 3.1731 |
| Topological Polar Surface Area | 58.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 279.10416 |
| Heavy Atoms | 19 |
| Complexity | 580.27203 |
Chemical Identifiers
| CAS Number | 128554-82-5 |
|---|---|
| SMILES | CN(C)CCCNC1=C(SC2=CC=CC=C21)[N+](=O)[O-] |
Product Overview
1,3-Propanediamine, N,N-dimethyl-N'-(2-nitrobenzo(b)thien-3-yl)- (CAS 128554-82-5), with molecular formula C13H17N3O2S and molecular weight 279.10 g/mol. IUPAC: N',N'-dimethyl-N-(2-nitro-1-benzothiophen-3-yl)propane-1,3-diamine.
Chemical Property Profile of 1,3-Propanediamine, N,N-dimethyl-N'-(2-nitrobenzo(b)thien-3-yl)-
Property Insights of 1,3-Propanediamine, N,N-dimethyl-N'-(2-nitrobenzo(b)thien-3-yl)-
The XLogP value of 3.1731 indicates that 1,3-Propanediamine, 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, 1,3-Propanediamine, 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, 1,3-Propanediamine, 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 1,3-Propanediamine, N,N-dimethyl-N'-(2-nitrobenzo(b)thien-3-yl)-?
The CAS number of 1,3-Propanediamine, N,N-dimethyl-N'-(2-nitrobenzo(b)thien-3-yl)- is 128554-82-5.
What is the molecular formula of 1,3-Propanediamine, N,N-dimethyl-N'-(2-nitrobenzo(b)thien-3-yl)-?
The molecular formula of 1,3-Propanediamine, N,N-dimethyl-N'-(2-nitrobenzo(b)thien-3-yl)- is C13H17N3O2S.
What is the molecular weight of 1,3-Propanediamine, N,N-dimethyl-N'-(2-nitrobenzo(b)thien-3-yl)-?
The molecular weight of 1,3-Propanediamine, N,N-dimethyl-N'-(2-nitrobenzo(b)thien-3-yl)- is 279.10 g/mol.
Where can I buy 1,3-Propanediamine, N,N-dimethyl-N'-(2-nitrobenzo(b)thien-3-yl)-?
You can request a quote for 1,3-Propanediamine, 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 1,3-Propanediamine, N,N-dimethyl-N'-(2-nitrobenzo(b)thien-3-yl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Propanediamine, N,N-dimethyl-N'-(2-nitrobenzo(b)thien-3-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.