RefChem:283573
TL;DR: RefChem:283573 (CAS 116608-81-2) is a chemical compound with molecular formula C18H23Cl2N5OS and molecular weight 427.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-benzyl-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-1H-pyrimidin-6-one;dihydrochloride
Also Known As: 4(1H)-Pyrimidinone, 2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)amino)-5-(phenylmethyl)-, dihydrochloride, 5-Benzyl-2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)amino)-4(1H)-pyrimidinone 2HCl, 5-Benzyl-2-[(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)amino]pyrimidin-4(3H)-one--hydrogen chloride (1/2), 5-benzyl-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-1H-pyrimidin-6-one dihydrochloride, RefChem:283573
| Molecular Formula | C18H23Cl2N5OS |
|---|---|
| Molecular Weight | 427.10 g/mol |
| LogP | 3.58112 |
| Topological Polar Surface Area | 86.46 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 427.10004 |
| Heavy Atoms | 27 |
| Complexity | 869.4435 |
Chemical Identifiers
| CAS Number | 116608-81-2 |
|---|---|
| SMILES | CC1=C(N=CN1)CSCCNC2=NC=C(C(=O)N2)CC3=CC=CC=C3.Cl.Cl |
Product Overview
RefChem:283573 (CAS 116608-81-2), with molecular formula C18H23Cl2N5OS and molecular weight 427.10 g/mol. IUPAC: 5-benzyl-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-1H-pyrimidin-6-one;dihydrochloride.
Chemical Property Profile of RefChem:283573
Property Insights of RefChem:283573
The XLogP value of 3.58112 indicates that RefChem:283573 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.46 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:283573. Following Lipinski's Rule of Five, RefChem:283573 has 3 hydrogen bond donor(s) and 5 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:283573?
The CAS number of RefChem:283573 is 116608-81-2.
What is the molecular formula of RefChem:283573?
The molecular formula of RefChem:283573 is C18H23Cl2N5OS.
What is the molecular weight of RefChem:283573?
The molecular weight of RefChem:283573 is 427.10 g/mol.
Where can I buy RefChem:283573?
You can request a quote for RefChem:283573 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:283573?
Yes, KEHONG BIO provides custom synthesis services for RefChem:283573 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.