7M-836
TL;DR: 7M-836 (CAS 339017-89-9) is a chemical compound with molecular formula C18H21FN4O2S2 and molecular weight 408.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[6-(4-fluorophenyl)sulfanyl-2-methylsulfanylpyrimidin-4-yl]piperazine-1-carboxylate
Also Known As: 7M-836, ethyl 4-[6-(4-fluorophenyl)sulfanyl-2-methylsulfanylpyrimidin-4-yl]piperazine-1-carboxylate, Ethyl 4-(6-((4-fluorophenyl)sulfanyl)-2-(methylsulfanyl)-4-pyrimidinyl)tetrahydro-1(2H)-pyrazinecarboxylate, Ethyl 4-[6-(4-fluorophenyl)sulfanyl-2-methylsulfanyl-pyrimidin-4-yl]piperazine-1-carboxylate, ethyl 4-[6-[(4-fluorophenyl)sulfanyl]-2-(methylsulfanyl)-4-pyrimidinyl]tetrahydro-1(2H)-pyrazinecarboxylate
| Molecular Formula | C18H21FN4O2S2 |
|---|---|
| Molecular Weight | 408.11 g/mol |
| LogP | 3.7673 |
| Topological Polar Surface Area | 58.56 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 408.109 |
| Heavy Atoms | 27 |
| Complexity | 783.43115 |
Chemical Identifiers
| CAS Number | 339017-89-9 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)C2=CC(=NC(=N2)SC)SC3=CC=C(C=C3)F |
Product Overview
7M-836 (CAS 339017-89-9), with molecular formula C18H21FN4O2S2 and molecular weight 408.11 g/mol. IUPAC: ethyl 4-[6-(4-fluorophenyl)sulfanyl-2-methylsulfanylpyrimidin-4-yl]piperazine-1-carboxylate.
Chemical Property Profile of 7M-836
Property Insights of 7M-836
The XLogP value of 3.7673 indicates that 7M-836 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.56 Ų, 7M-836 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7M-836 has 0 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 7M-836?
The CAS number of 7M-836 is 339017-89-9.
What is the molecular formula of 7M-836?
The molecular formula of 7M-836 is C18H21FN4O2S2.
What is the molecular weight of 7M-836?
The molecular weight of 7M-836 is 408.11 g/mol.
Where can I buy 7M-836?
You can request a quote for 7M-836 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7M-836?
Yes, KEHONG BIO provides custom synthesis services for 7M-836 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.