EINECS 276-782-4
TL;DR: EINECS 276-782-4 (CAS 72717-05-6) is a chemical compound with molecular formula C18H20N4O2S and molecular weight 356.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(furan-2-ylmethylsulfanyl)ethylamino]-5-[(6-methyl-3-pyridinyl)methyl]-1H-pyrimidin-6-one
Also Known As: EINECS 276-782-4, 2-((2-((2-Furylmethyl)thio)ethyl)amino)-5-((6-methyl-3-pyridyl)methyl)-1H-pyrimidin-4-one, 2-[[2-[(2-furylmethyl)thio]ethyl]amino]-5-[(6-methyl-3-pyridyl)methyl]-1h-pyrimidin-4-one, 2-[2-(furan-2-ylmethylsulfanyl)ethylamino]-5-[(6-methylpyridin-3-yl)methyl]-1H-pyrimidin-6-one, 2-[2-(Furfurylthio)ethylamino]-5-(6-methylpyridin-3-ylmethyl)pyrimidin-4(1H)-one
| Molecular Formula | C18H20N4O2S |
|---|---|
| Molecular Weight | 356.13 g/mol |
| LogP | 3.00242 |
| Topological Polar Surface Area | 83.81 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 356.1307 |
| Heavy Atoms | 25 |
| Complexity | 844.2676 |
Chemical Identifiers
| CAS Number | 72717-05-6 |
|---|---|
| SMILES | CC1=NC=C(C=C1)CC2=CN=C(NC2=O)NCCSCC3=CC=CO3 |
Product Overview
EINECS 276-782-4 (CAS 72717-05-6), with molecular formula C18H20N4O2S and molecular weight 356.13 g/mol. IUPAC: 2-[2-(furan-2-ylmethylsulfanyl)ethylamino]-5-[(6-methyl-3-pyridinyl)methyl]-1H-pyrimidin-6-one.
Chemical Property Profile of EINECS 276-782-4
Property Insights of EINECS 276-782-4
The XLogP value of 3.00242 indicates that EINECS 276-782-4 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.81 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 276-782-4. Following Lipinski's Rule of Five, EINECS 276-782-4 has 2 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 EINECS 276-782-4?
The CAS number of EINECS 276-782-4 is 72717-05-6.
What is the molecular formula of EINECS 276-782-4?
The molecular formula of EINECS 276-782-4 is C18H20N4O2S.
What is the molecular weight of EINECS 276-782-4?
The molecular weight of EINECS 276-782-4 is 356.13 g/mol.
Where can I buy EINECS 276-782-4?
You can request a quote for EINECS 276-782-4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 276-782-4?
Yes, KEHONG BIO provides custom synthesis services for EINECS 276-782-4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.