1,2-Ethanediamine, N,N-bis(1-methylethyl)-N'-(6-chloro-5-(methylthio)-2-(1-piperidinyl)-4-pyrimidinyl)-, monohydrobromide
TL;DR: 1,2-Ethanediamine, N,N-bis(1-methylethyl)-N'-(6-chloro-5-(methylthio)-2-(1-piperidinyl)-4-pyrimidinyl)-, monohydrobromide (CAS 55417-02-2) is a chemical compound with molecular formula C18H33BrClN5S and molecular weight 465.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(6-chloro-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-chloro-5-(methylthio)-2-(1-piperidinyl)-4-pyrimidinyl)-, monohydrobromide, 2-Piperidino-4-(2'-diisopropylamino)ethylamino-5-methylthio-6-chloropyrimidine hydrobromide, N-(6-chloro-5-methylsulfanyl-2-piperidin-1-ylpyrimidin-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine hydrobromide, N~2~-[6-Chloro-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:216239
| Molecular Formula | C18H33BrClN5S |
|---|---|
| Molecular Weight | 465.13 g/mol |
| LogP | 4.9508 |
| Topological Polar Surface Area | 44.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 465.13287 |
| Heavy Atoms | 26 |
| Complexity | 544.6282 |
Chemical Identifiers
| CAS Number | 55417-02-2 |
|---|---|
| SMILES | CC(C)N(CCNC1=C(C(=NC(=N1)N2CCCCC2)Cl)SC)C(C)C.Br |
Product Overview
1,2-Ethanediamine, N,N-bis(1-methylethyl)-N'-(6-chloro-5-(methylthio)-2-(1-piperidinyl)-4-pyrimidinyl)-, monohydrobromide (CAS 55417-02-2), with molecular formula C18H33BrClN5S and molecular weight 465.13 g/mol. IUPAC: N-(6-chloro-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-chloro-5-(methylthio)-2-(1-piperidinyl)-4-pyrimidinyl)-, monohydrobromide
Property Insights of 1,2-Ethanediamine, N,N-bis(1-methylethyl)-N'-(6-chloro-5-(methylthio)-2-(1-piperidinyl)-4-pyrimidinyl)-, monohydrobromide
The XLogP value of 4.9508 indicates that 1,2-Ethanediamine, N,N-bis(1-methylethyl)-N'-(6-chloro-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 44.29 Ų, 1,2-Ethanediamine, N,N-bis(1-methylethyl)-N'-(6-chloro-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-chloro-5-(methylthio)-2-(1-piperidinyl)-4-pyrimidinyl)-, monohydrobromide has 1 hydrogen bond donor(s) and 6 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-chloro-5-(methylthio)-2-(1-piperidinyl)-4-pyrimidinyl)-, monohydrobromide?
The CAS number of 1,2-Ethanediamine, N,N-bis(1-methylethyl)-N'-(6-chloro-5-(methylthio)-2-(1-piperidinyl)-4-pyrimidinyl)-, monohydrobromide is 55417-02-2.
What is the molecular formula of 1,2-Ethanediamine, N,N-bis(1-methylethyl)-N'-(6-chloro-5-(methylthio)-2-(1-piperidinyl)-4-pyrimidinyl)-, monohydrobromide?
The molecular formula of 1,2-Ethanediamine, N,N-bis(1-methylethyl)-N'-(6-chloro-5-(methylthio)-2-(1-piperidinyl)-4-pyrimidinyl)-, monohydrobromide is C18H33BrClN5S.
What is the molecular weight of 1,2-Ethanediamine, N,N-bis(1-methylethyl)-N'-(6-chloro-5-(methylthio)-2-(1-piperidinyl)-4-pyrimidinyl)-, monohydrobromide?
The molecular weight of 1,2-Ethanediamine, N,N-bis(1-methylethyl)-N'-(6-chloro-5-(methylthio)-2-(1-piperidinyl)-4-pyrimidinyl)-, monohydrobromide is 465.13 g/mol.
Where can I buy 1,2-Ethanediamine, N,N-bis(1-methylethyl)-N'-(6-chloro-5-(methylthio)-2-(1-piperidinyl)-4-pyrimidinyl)-, monohydrobromide?
You can request a quote for 1,2-Ethanediamine, N,N-bis(1-methylethyl)-N'-(6-chloro-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-chloro-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-chloro-5-(methylthio)-2-(1-piperidinyl)-4-pyrimidinyl)-, monohydrobromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.