1,3-Propanediamine, N-(5-chloro-2-nitrobenzo(b)thien-3-yl)-N,N'-dimethyl-
TL;DR: 1,3-Propanediamine, N-(5-chloro-2-nitrobenzo(b)thien-3-yl)-N,N'-dimethyl- (CAS 149338-16-9) is a chemical compound with molecular formula C13H16ClN3O2S and molecular weight 313.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-chloro-2-nitro-1-benzothiophen-3-yl)-N',N'-dimethylpropane-1,3-diamine
Also Known As: 1,3-Propanediamine, N-(5-chloro-2-nitrobenzo(b)thien-3-yl)-N,N'-dimethyl-, N-(5-Chloro-2-nitrobenzo(b)thien-3-yl)-N,N'-dimethyl-1,3-propanediamine, N,N-Dimethyl-3-[(5-chloro-2-nitrobenzo[b]thiophen-3-yl)amino]propylamine, 5-CHLORO-N-[3-(DIMETHYLAMINO)PROPYL]-2-NITRO-1-BENZOTHIOPHEN-3-AMINE, N-(5-chloro-2-nitro-1-benzothiophen-3-yl)-N',N'-dimethylpropane-1,3-diamine
| Molecular Formula | C13H16ClN3O2S |
|---|---|
| Molecular Weight | 313.07 g/mol |
| LogP | 3.8265 |
| Topological Polar Surface Area | 58.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 313.0652 |
| Heavy Atoms | 20 |
| Complexity | 627.34894 |
Chemical Identifiers
| CAS Number | 149338-16-9 |
|---|---|
| SMILES | CN(C)CCCNC1=C(SC2=C1C=C(C=C2)Cl)[N+](=O)[O-] |
Product Overview
1,3-Propanediamine, N-(5-chloro-2-nitrobenzo(b)thien-3-yl)-N,N'-dimethyl- (CAS 149338-16-9), with molecular formula C13H16ClN3O2S and molecular weight 313.07 g/mol. IUPAC: N-(5-chloro-2-nitro-1-benzothiophen-3-yl)-N',N'-dimethylpropane-1,3-diamine.
Chemical Property Profile of 1,3-Propanediamine, N-(5-chloro-2-nitrobenzo(b)thien-3-yl)-N,N'-dimethyl-
Property Insights of 1,3-Propanediamine, N-(5-chloro-2-nitrobenzo(b)thien-3-yl)-N,N'-dimethyl-
The XLogP value of 3.8265 indicates that 1,3-Propanediamine, 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, 1,3-Propanediamine, 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, 1,3-Propanediamine, N-(5-chloro-2-nitrobenzo(b)thien-3-yl)-N,N'-dimethyl- 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-(5-chloro-2-nitrobenzo(b)thien-3-yl)-N,N'-dimethyl-?
The CAS number of 1,3-Propanediamine, N-(5-chloro-2-nitrobenzo(b)thien-3-yl)-N,N'-dimethyl- is 149338-16-9.
What is the molecular formula of 1,3-Propanediamine, N-(5-chloro-2-nitrobenzo(b)thien-3-yl)-N,N'-dimethyl-?
The molecular formula of 1,3-Propanediamine, N-(5-chloro-2-nitrobenzo(b)thien-3-yl)-N,N'-dimethyl- is C13H16ClN3O2S.
What is the molecular weight of 1,3-Propanediamine, N-(5-chloro-2-nitrobenzo(b)thien-3-yl)-N,N'-dimethyl-?
The molecular weight of 1,3-Propanediamine, N-(5-chloro-2-nitrobenzo(b)thien-3-yl)-N,N'-dimethyl- is 313.07 g/mol.
Where can I buy 1,3-Propanediamine, N-(5-chloro-2-nitrobenzo(b)thien-3-yl)-N,N'-dimethyl-?
You can request a quote for 1,3-Propanediamine, 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 1,3-Propanediamine, N-(5-chloro-2-nitrobenzo(b)thien-3-yl)-N,N'-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Propanediamine, 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.