ML-9 free base
TL;DR: ML-9 free base (CAS 110448-31-2) is a chemical compound with molecular formula C15H17ClN2O2S and molecular weight 324.06992 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(5-chloronaphthalen-1-yl)sulfonyl-1,4-diazepane
Also Known As: ML-9 free base, ML 9 (Free Base), ML-9 (Free Base), Lopac-C-1172, BiomolKI2_000008
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C15H17ClN2O2S |
| Molecular Weight | 324.06992 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 57.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 324.06992 Da |
| Heavy Atoms | 21 |
| Complexity | 451.0 |
| SMILES | C1CNCCN(C1)S(=O)(=O)C2=CC=CC3=C2C=CC=C3Cl |
| InChIKey | OZSMSRIUUDGTEP-UHFFFAOYSA-N |
Chemical Property Profile of ML-9 free base
Property Insights of ML-9 free base
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ML-9 free base. With a topological polar surface area (TPSA) of 57.8 Ų, ML-9 free base exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ML-9 free base has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of ML-9 free base?
The CAS number of ML-9 free base is 110448-31-2.
What is the molecular formula of ML-9 free base?
The molecular formula of ML-9 free base is C15H17ClN2O2S.
What is the molecular weight of ML-9 free base?
The molecular weight of ML-9 free base is 324.06992 g/mol.
Where can I buy ML-9 free base?
You can request a quote for ML-9 free base directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ML-9 free base?
Yes, CoreyChem provides custom synthesis services for ML-9 free base and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.