MS 857
TL;DR: MS 857 (CAS 107189-96-8) is a chemical compound with molecular formula C17H18N2O2 and molecular weight 282.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
MS 857
4-acetyl-1-methyl-7-pyridin-4-yl-5,6,7,8-tetrahydro-2H-isoquinolin-3-one
Also Known As: 4-Acetyl-1-methyl-7-(4-pyridyl)-5,6,7,8-tetrahydro-3(2H)-isoquinolinone, SID:134222466, 4-Acetyl-1-methyl-7-pyridin-4-yl-5,6,7,8-tetrahydro-2H-isoquinolin-3-one, 5,6,7,8-Tetrahydro-4-acetyl-1-methyl-7-(4-pyridinyl)-3(2H)-isoquinolinone, 3(2H)-Isoquinoline, 4-acetyl-5,6,7,8-tetrahydro-1-methyl-7-(4-pyridinyl)-
| Molecular Formula | C17H18N2O2 |
|---|---|
| Molecular Weight | 282.14 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 59.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 282.13684 |
| Heavy Atoms | 21 |
| Complexity | 539.0 |
Chemical Identifiers
| CAS Number | 107189-96-8 |
|---|---|
| SMILES | CC1=C2CC(CCC2=C(C(=O)N1)C(=O)C)C3=CC=NC=C3 |
| InChIKey | NVTWQACIVZHUPA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
MS 857 (CAS 107189-96-8), with molecular formula C17H18N2O2 and molecular weight 282.14 g/mol. IUPAC: 4-acetyl-1-methyl-7-pyridin-4-yl-5,6,7,8-tetrahydro-2H-isoquinolin-3-one.
Chemical Property Profile of MS 857
Property Insights of MS 857
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for MS 857. With a topological polar surface area (TPSA) of 59.1 Ų, MS 857 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, MS 857 has 1 hydrogen bond donor(s) and 3 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 MS 857?
The CAS number of MS 857 is 107189-96-8.
What is the molecular formula of MS 857?
The molecular formula of MS 857 is C17H18N2O2.
What is the molecular weight of MS 857?
The molecular weight of MS 857 is 282.14 g/mol.
Where can I buy MS 857?
You can request a quote for MS 857 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for MS 857?
Yes, KEHONG BIO provides custom synthesis services for MS 857 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.