1,3-Propanediamine, N,N-diethyl-N'-(2-nitro-3-thienyl)-, monohydrochloride
TL;DR: 1,3-Propanediamine, N,N-diethyl-N'-(2-nitro-3-thienyl)-, monohydrochloride (CAS 122777-89-3) is a chemical compound with molecular formula C11H20ClN3O2S and molecular weight 293.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N',N'-diethyl-N-(2-nitrothiophen-3-yl)propane-1,3-diamine;hydrochloride
Also Known As: 1,3-Propanediamine, N,N-diethyl-N'-(2-nitro-3-thienyl)-, monohydrochloride, N,N-Diethyl-N'-(2-nitro-3-thienyl)-1,3-propanediamine hydrochloride, 3-Thiophenamine, N-(3-(diethylamino)propyl)-2-nitro-, monohydrochloride, N',N'-diethyl-N-(2-nitrothiophen-3-yl)propane-1,3-diamine hydrochloride, N~1~,N~1~-Diethyl-N~3~-(2-nitrothiophen-3-yl)propane-1,3-diamine--hydrogen chloride (1/1)
| Molecular Formula | C11H20ClN3O2S |
|---|---|
| Molecular Weight | 293.10 g/mol |
| LogP | 3.2219 |
| Topological Polar Surface Area | 58.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 293.09647 |
| Heavy Atoms | 18 |
| Complexity | 355.81244 |
Chemical Identifiers
| CAS Number | 122777-89-3 |
|---|---|
| SMILES | CCN(CC)CCCNC1=C(SC=C1)[N+](=O)[O-].Cl |
Product Overview
1,3-Propanediamine, N,N-diethyl-N'-(2-nitro-3-thienyl)-, monohydrochloride (CAS 122777-89-3), with molecular formula C11H20ClN3O2S and molecular weight 293.10 g/mol. IUPAC: N',N'-diethyl-N-(2-nitrothiophen-3-yl)propane-1,3-diamine;hydrochloride.
Chemical Property Profile of 1,3-Propanediamine, N,N-diethyl-N'-(2-nitro-3-thienyl)-, monohydrochloride
Property Insights of 1,3-Propanediamine, N,N-diethyl-N'-(2-nitro-3-thienyl)-, monohydrochloride
The XLogP value of 3.2219 indicates that 1,3-Propanediamine, N,N-diethyl-N'-(2-nitro-3-thienyl)-, monohydrochloride 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-diethyl-N'-(2-nitro-3-thienyl)-, monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Propanediamine, N,N-diethyl-N'-(2-nitro-3-thienyl)-, monohydrochloride 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-diethyl-N'-(2-nitro-3-thienyl)-, monohydrochloride?
The CAS number of 1,3-Propanediamine, N,N-diethyl-N'-(2-nitro-3-thienyl)-, monohydrochloride is 122777-89-3.
What is the molecular formula of 1,3-Propanediamine, N,N-diethyl-N'-(2-nitro-3-thienyl)-, monohydrochloride?
The molecular formula of 1,3-Propanediamine, N,N-diethyl-N'-(2-nitro-3-thienyl)-, monohydrochloride is C11H20ClN3O2S.
What is the molecular weight of 1,3-Propanediamine, N,N-diethyl-N'-(2-nitro-3-thienyl)-, monohydrochloride?
The molecular weight of 1,3-Propanediamine, N,N-diethyl-N'-(2-nitro-3-thienyl)-, monohydrochloride is 293.10 g/mol.
Where can I buy 1,3-Propanediamine, N,N-diethyl-N'-(2-nitro-3-thienyl)-, monohydrochloride?
You can request a quote for 1,3-Propanediamine, N,N-diethyl-N'-(2-nitro-3-thienyl)-, monohydrochloride 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-diethyl-N'-(2-nitro-3-thienyl)-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Propanediamine, N,N-diethyl-N'-(2-nitro-3-thienyl)-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.