7M-839
TL;DR: 7M-839 (CAS 339017-92-4) is a chemical compound with molecular formula C17H27N7O3S and molecular weight 409.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[6-(4-carbamoylpiperazin-1-yl)-2-methylsulfanylpyrimidin-4-yl]piperazine-1-carboxylate
Also Known As: 7M-839, Ethyl 4-(6-(4-(aminocarbonyl)piperazino)-2-(methylsulfanyl)-4-pyrimidinyl)tetrahydro-1(2H)-pyrazinecarboxylate, ethyl 4-[6-(4-carbamoylpiperazin-1-yl)-2-methylsulfanylpyrimidin-4-yl]piperazine-1-carboxylate, ethyl 4-[6-(4-carbamoylpiperazin-1-yl)-2-(methylsulfanyl)pyrimidin-4-yl]piperazine-1-carboxylate, Ethyl 4-[6-(4-carbamoylpiperazin-1-yl)-2-methylsulfanyl-pyrimidin-4-yl]piperazine-1-carboxylate
| Molecular Formula | C17H27N7O3S |
|---|---|
| Molecular Weight | 409.19 g/mol |
| LogP | 0.6777 |
| Topological Polar Surface Area | 108.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 409.1896 |
| Heavy Atoms | 28 |
| Complexity | 703.99146 |
Chemical Identifiers
| CAS Number | 339017-92-4 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)C2=NC(=NC(=C2)N3CCN(CC3)C(=O)N)SC |
Product Overview
7M-839 (CAS 339017-92-4), with molecular formula C17H27N7O3S and molecular weight 409.19 g/mol. IUPAC: ethyl 4-[6-(4-carbamoylpiperazin-1-yl)-2-methylsulfanylpyrimidin-4-yl]piperazine-1-carboxylate.
Chemical Property Profile of 7M-839
Property Insights of 7M-839
The XLogP value of 0.6777 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7M-839. The TPSA of 108.13 Ų falls within the moderate polarity range, balancing permeability and solubility for 7M-839. Following Lipinski's Rule of Five, 7M-839 has 1 hydrogen bond donor(s) and 8 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-839?
The CAS number of 7M-839 is 339017-92-4.
What is the molecular formula of 7M-839?
The molecular formula of 7M-839 is C17H27N7O3S.
What is the molecular weight of 7M-839?
The molecular weight of 7M-839 is 409.19 g/mol.
Where can I buy 7M-839?
You can request a quote for 7M-839 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7M-839?
Yes, KEHONG BIO provides custom synthesis services for 7M-839 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.