RefChem:216219
TL;DR: RefChem:216219 (CAS 55416-98-3) is a chemical compound with molecular formula C13H22ClN5OS and molecular weight 331.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(6-chloro-5-methylsulfanyl-2-morpholin-4-ylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
Also Known As: 1,2-Ethanediamine, N'-(6-chloro-5-(methylthio)-2-(4-morpholinyl)-4-pyrimidinyl)-N,N-dimethyl-, 2-Morpholino-4-(2'-dimethylamino)ethylamino-5-methylthio-6-chloropyrimidine, N'-(6-Chloro-5-(methylthio)-2-(4-morpholinyl)-4-pyrimidinyl)-N,N-dimethyl-1,2-ethanediamine, N-(6-chloro-5-methylsulfanyl-2-morpholin-4-ylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine, N~2~-[6-Chloro-5-(methylsulfanyl)-2-(morpholin-4-yl)pyrimidin-4-yl]-N~1~,N~1~-dimethylethane-1,2-diamine
| Molecular Formula | C13H22ClN5OS |
|---|---|
| Molecular Weight | 331.12 g/mol |
| LogP | 1.662 |
| Topological Polar Surface Area | 53.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 331.12335 |
| Heavy Atoms | 21 |
| Complexity | 468.12 |
Chemical Identifiers
| CAS Number | 55416-98-3 |
|---|---|
| SMILES | CN(C)CCNC1=C(C(=NC(=N1)N2CCOCC2)Cl)SC |
Product Overview
RefChem:216219 (CAS 55416-98-3), with molecular formula C13H22ClN5OS and molecular weight 331.12 g/mol. IUPAC: N-(6-chloro-5-methylsulfanyl-2-morpholin-4-ylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine.
Chemical Property Profile of RefChem:216219
Property Insights of RefChem:216219
The XLogP value of 1.662 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:216219. With a topological polar surface area (TPSA) of 53.52 Ų, RefChem:216219 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:216219 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 RefChem:216219?
The CAS number of RefChem:216219 is 55416-98-3.
What is the molecular formula of RefChem:216219?
The molecular formula of RefChem:216219 is C13H22ClN5OS.
What is the molecular weight of RefChem:216219?
The molecular weight of RefChem:216219 is 331.12 g/mol.
Where can I buy RefChem:216219?
You can request a quote for RefChem:216219 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:216219?
Yes, KEHONG BIO provides custom synthesis services for RefChem:216219 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.