1,2-Ethanediamine, N,N-bis(1-methylethyl)-N'-(6-methoxy-5-(methylthio)-2-(1-piperidinyl)-4-pyrimidinyl)-, monohydrobromide
TL;DR: 1,2-Ethanediamine, N,N-bis(1-methylethyl)-N'-(6-methoxy-5-(methylthio)-2-(1-piperidinyl)-4-pyrimidinyl)-, monohydrobromide (CAS 55417-16-8) is a chemical compound with molecular formula C19H36BrN5OS and molecular weight 461.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(6-methoxy-5-methylsulfanyl-2-piperidin-1-ylpyrimidin-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine;hydrobromide
Also Known As: 1,2-Ethanediamine, N,N-bis(1-methylethyl)-N'-(6-methoxy-5-(methylthio)-2-(1-piperidinyl)-4-pyrimidinyl)-, monohydrobromide, N-(6-methoxy-5-methylsulfanyl-2-piperidin-1-ylpyrimidin-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine hydrobromide, N~2~-[6-Methoxy-5-(methylsulfanyl)-2-(piperidin-1-yl)pyrimidin-4-yl]-N~1~,N~1~-di(propan-2-yl)ethane-1,2-diamine--hydrogen bromide (1/1), RefChem:216240
| Molecular Formula | C19H36BrN5OS |
|---|---|
| Molecular Weight | 461.18 g/mol |
| LogP | 4.306 |
| Topological Polar Surface Area | 53.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 461.1824 |
| Heavy Atoms | 27 |
| Complexity | 559.2761 |
Chemical Identifiers
| CAS Number | 55417-16-8 |
|---|---|
| SMILES | CC(C)N(CCNC1=C(C(=NC(=N1)N2CCCCC2)OC)SC)C(C)C.Br |
Product Overview
1,2-Ethanediamine, N,N-bis(1-methylethyl)-N'-(6-methoxy-5-(methylthio)-2-(1-piperidinyl)-4-pyrimidinyl)-, monohydrobromide (CAS 55417-16-8), with molecular formula C19H36BrN5OS and molecular weight 461.18 g/mol. IUPAC: N-(6-methoxy-5-methylsulfanyl-2-piperidin-1-ylpyrimidin-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine;hydrobromide.
Chemical Property Profile of 1,2-Ethanediamine, N,N-bis(1-methylethyl)-N'-(6-methoxy-5-(methylthio)-2-(1-piperidinyl)-4-pyrimidinyl)-, monohydrobromide
Property Insights of 1,2-Ethanediamine, N,N-bis(1-methylethyl)-N'-(6-methoxy-5-(methylthio)-2-(1-piperidinyl)-4-pyrimidinyl)-, monohydrobromide
The XLogP value of 4.306 indicates that 1,2-Ethanediamine, N,N-bis(1-methylethyl)-N'-(6-methoxy-5-(methylthio)-2-(1-piperidinyl)-4-pyrimidinyl)-, monohydrobromide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.52 Ų, 1,2-Ethanediamine, N,N-bis(1-methylethyl)-N'-(6-methoxy-5-(methylthio)-2-(1-piperidinyl)-4-pyrimidinyl)-, monohydrobromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Ethanediamine, N,N-bis(1-methylethyl)-N'-(6-methoxy-5-(methylthio)-2-(1-piperidinyl)-4-pyrimidinyl)-, monohydrobromide has 1 hydrogen bond donor(s) and 7 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,N-bis(1-methylethyl)-N'-(6-methoxy-5-(methylthio)-2-(1-piperidinyl)-4-pyrimidinyl)-, monohydrobromide?
The CAS number of 1,2-Ethanediamine, N,N-bis(1-methylethyl)-N'-(6-methoxy-5-(methylthio)-2-(1-piperidinyl)-4-pyrimidinyl)-, monohydrobromide is 55417-16-8.
What is the molecular formula of 1,2-Ethanediamine, N,N-bis(1-methylethyl)-N'-(6-methoxy-5-(methylthio)-2-(1-piperidinyl)-4-pyrimidinyl)-, monohydrobromide?
The molecular formula of 1,2-Ethanediamine, N,N-bis(1-methylethyl)-N'-(6-methoxy-5-(methylthio)-2-(1-piperidinyl)-4-pyrimidinyl)-, monohydrobromide is C19H36BrN5OS.
What is the molecular weight of 1,2-Ethanediamine, N,N-bis(1-methylethyl)-N'-(6-methoxy-5-(methylthio)-2-(1-piperidinyl)-4-pyrimidinyl)-, monohydrobromide?
The molecular weight of 1,2-Ethanediamine, N,N-bis(1-methylethyl)-N'-(6-methoxy-5-(methylthio)-2-(1-piperidinyl)-4-pyrimidinyl)-, monohydrobromide is 461.18 g/mol.
Where can I buy 1,2-Ethanediamine, N,N-bis(1-methylethyl)-N'-(6-methoxy-5-(methylthio)-2-(1-piperidinyl)-4-pyrimidinyl)-, monohydrobromide?
You can request a quote for 1,2-Ethanediamine, N,N-bis(1-methylethyl)-N'-(6-methoxy-5-(methylthio)-2-(1-piperidinyl)-4-pyrimidinyl)-, monohydrobromide 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,N-bis(1-methylethyl)-N'-(6-methoxy-5-(methylthio)-2-(1-piperidinyl)-4-pyrimidinyl)-, monohydrobromide?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Ethanediamine, N,N-bis(1-methylethyl)-N'-(6-methoxy-5-(methylthio)-2-(1-piperidinyl)-4-pyrimidinyl)-, monohydrobromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.