7M-822
TL;DR: 7M-822 (CAS 339017-78-6) is a chemical compound with molecular formula C12H17ClN4O2S and molecular weight 316.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(6-chloro-2-methylsulfanylpyrimidin-4-yl)piperazine-1-carboxylate
Also Known As: 7M-822, Ethyl 4-(6-chloro-2-(methylsulfanyl)-4-pyrimidinyl)tetrahydro-1(2H)-pyrazinecarboxylate, ethyl 4-(6-chloro-2-methylsulfanylpyrimidin-4-yl)piperazine-1-carboxylate, ethyl 4-[6-chloro-2-(methylsulfanyl)pyrimidin-4-yl]piperazine-1-carboxylate, ethyl4-[6-chloro-2-(methylsulfanyl)pyrimidin-4-yl]piperazine-1-carboxylate
| Molecular Formula | C12H17ClN4O2S |
|---|---|
| Molecular Weight | 316.08 g/mol |
| LogP | 2.1304 |
| Topological Polar Surface Area | 58.56 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 316.07608 |
| Heavy Atoms | 20 |
| Complexity | 480.52518 |
Chemical Identifiers
| CAS Number | 339017-78-6 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)C2=CC(=NC(=N2)SC)Cl |
Product Overview
7M-822 (CAS 339017-78-6), with molecular formula C12H17ClN4O2S and molecular weight 316.08 g/mol. IUPAC: ethyl 4-(6-chloro-2-methylsulfanylpyrimidin-4-yl)piperazine-1-carboxylate.
Chemical Property Profile of 7M-822
Property Insights of 7M-822
The XLogP value of 2.1304 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7M-822. With a topological polar surface area (TPSA) of 58.56 Ų, 7M-822 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7M-822 has 0 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 7M-822?
The CAS number of 7M-822 is 339017-78-6.
What is the molecular formula of 7M-822?
The molecular formula of 7M-822 is C12H17ClN4O2S.
What is the molecular weight of 7M-822?
The molecular weight of 7M-822 is 316.08 g/mol.
Where can I buy 7M-822?
You can request a quote for 7M-822 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7M-822?
Yes, KEHONG BIO provides custom synthesis services for 7M-822 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.