N-Ethyl-N,1-dimethyl-3,3-di-2-thienylallylamine hydrochloride
TL;DR: N-Ethyl-N,1-dimethyl-3,3-di-2-thienylallylamine hydrochloride (CAS 64037-50-9) is a chemical compound with molecular formula C15H20ClNS2 and molecular weight 313.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-dithiophen-2-ylbut-3-en-2-yl-ethyl-methylazanium chloride
Also Known As: 1C50 hydrochloride, Emethibutin hydrochloride, NIH-5145 hydrochloride, Ethylmethiambutene hydrochloride, Ethylmethylthiambutene hydrochloride
| Molecular Formula | C15H20ClNS2 |
|---|---|
| Molecular Weight | 313.07 g/mol |
| LogP | 0.17 |
| Topological Polar Surface Area | 60.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 313.07257 |
| Heavy Atoms | 19 |
| Complexity | 272.0 |
Chemical Identifiers
| CAS Number | 64037-50-9 |
|---|---|
| SMILES | CC[NH+](C)C(C)C=C(C1=CC=CS1)C2=CC=CS2.[Cl-] |
| InChIKey | ISXRXBARLXCMSX-UHFFFAOYSA-N |
Product Overview
N-Ethyl-N,1-dimethyl-3,3-di-2-thienylallylamine hydrochloride (CAS 64037-50-9), with molecular formula C15H20ClNS2 and molecular weight 313.07 g/mol. IUPAC: 4,4-dithiophen-2-ylbut-3-en-2-yl-ethyl-methylazanium chloride.
Chemical Property Profile of N-Ethyl-N,1-dimethyl-3,3-di-2-thienylallylamine hydrochloride
Property Insights of N-Ethyl-N,1-dimethyl-3,3-di-2-thienylallylamine hydrochloride
The XLogP value of 0.17 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Ethyl-N,1-dimethyl-3,3-di-2-thienylallylamine hydrochloride. The TPSA of 60.9 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Ethyl-N,1-dimethyl-3,3-di-2-thienylallylamine hydrochloride. Following Lipinski's Rule of Five, N-Ethyl-N,1-dimethyl-3,3-di-2-thienylallylamine hydrochloride has 1 hydrogen bond donor(s) and 3 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 N-Ethyl-N,1-dimethyl-3,3-di-2-thienylallylamine hydrochloride?
The CAS number of N-Ethyl-N,1-dimethyl-3,3-di-2-thienylallylamine hydrochloride is 64037-50-9.
What is the molecular formula of N-Ethyl-N,1-dimethyl-3,3-di-2-thienylallylamine hydrochloride?
The molecular formula of N-Ethyl-N,1-dimethyl-3,3-di-2-thienylallylamine hydrochloride is C15H20ClNS2.
What is the molecular weight of N-Ethyl-N,1-dimethyl-3,3-di-2-thienylallylamine hydrochloride?
The molecular weight of N-Ethyl-N,1-dimethyl-3,3-di-2-thienylallylamine hydrochloride is 313.07 g/mol.
Where can I buy N-Ethyl-N,1-dimethyl-3,3-di-2-thienylallylamine hydrochloride?
You can request a quote for N-Ethyl-N,1-dimethyl-3,3-di-2-thienylallylamine hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Ethyl-N,1-dimethyl-3,3-di-2-thienylallylamine hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for N-Ethyl-N,1-dimethyl-3,3-di-2-thienylallylamine hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.