1,2-Ethanediamine, N'-methyl-N-2-pyridinyl-N-(2-thienylmethyl)-
TL;DR: 1,2-Ethanediamine, N'-methyl-N-2-pyridinyl-N-(2-thienylmethyl)- (CAS 78761-68-9) is a chemical compound with molecular formula C13H17N3S and molecular weight 247.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-methyl-N'-pyridin-2-yl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
Also Known As: N-Demethylmethapylilene, Methapyrilene metabolite 1, 1,2-Ethanediamine, N'-methyl-N-2-pyridinyl-N-(2-thienylmethyl)-, N-methyl-N'-pyridin-2-yl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine, N-[2-(methylamino)ethyl]-N-[(thiophen-2-yl)methyl]pyridin-2-amine
| Molecular Formula | C13H17N3S |
|---|---|
| Molecular Weight | 247.11 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 56.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 247.11432 |
| Heavy Atoms | 17 |
| Complexity | 213.0 |
Chemical Identifiers
| CAS Number | 78761-68-9 |
|---|---|
| SMILES | CNCCN(CC1=CC=CS1)C2=CC=CC=N2 |
| InChIKey | MEVRBIXLXBAVEY-UHFFFAOYSA-N |
Product Overview
1,2-Ethanediamine, N'-methyl-N-2-pyridinyl-N-(2-thienylmethyl)- (CAS 78761-68-9), with molecular formula C13H17N3S and molecular weight 247.11 g/mol. IUPAC: N-methyl-N'-pyridin-2-yl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine.
Chemical Property Profile of 1,2-Ethanediamine, N'-methyl-N-2-pyridinyl-N-(2-thienylmethyl)-
Property Insights of 1,2-Ethanediamine, N'-methyl-N-2-pyridinyl-N-(2-thienylmethyl)-
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Ethanediamine, N'-methyl-N-2-pyridinyl-N-(2-thienylmethyl)-. With a topological polar surface area (TPSA) of 56.4 Ų, 1,2-Ethanediamine, N'-methyl-N-2-pyridinyl-N-(2-thienylmethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Ethanediamine, N'-methyl-N-2-pyridinyl-N-(2-thienylmethyl)- has 1 hydrogen bond donor(s) and 4 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'-methyl-N-2-pyridinyl-N-(2-thienylmethyl)-?
The CAS number of 1,2-Ethanediamine, N'-methyl-N-2-pyridinyl-N-(2-thienylmethyl)- is 78761-68-9.
What is the molecular formula of 1,2-Ethanediamine, N'-methyl-N-2-pyridinyl-N-(2-thienylmethyl)-?
The molecular formula of 1,2-Ethanediamine, N'-methyl-N-2-pyridinyl-N-(2-thienylmethyl)- is C13H17N3S.
What is the molecular weight of 1,2-Ethanediamine, N'-methyl-N-2-pyridinyl-N-(2-thienylmethyl)-?
The molecular weight of 1,2-Ethanediamine, N'-methyl-N-2-pyridinyl-N-(2-thienylmethyl)- is 247.11 g/mol.
Where can I buy 1,2-Ethanediamine, N'-methyl-N-2-pyridinyl-N-(2-thienylmethyl)-?
You can request a quote for 1,2-Ethanediamine, N'-methyl-N-2-pyridinyl-N-(2-thienylmethyl)- 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'-methyl-N-2-pyridinyl-N-(2-thienylmethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Ethanediamine, N'-methyl-N-2-pyridinyl-N-(2-thienylmethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.