MF 961
TL;DR: MF 961 (CAS 138372-76-6) is a chemical compound with molecular formula C18H19F2N3O3S and molecular weight 395.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
MF 961
7-fluoro-2-(fluoromethyl)-6-(4-methylpiperazin-1-yl)-10-oxo-4-thia-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid
Also Known As: Fmoc-Phe-Pro-OH, MF 961, MF961, 7H-Pyrido(1,2,3-de)-1,4-benzothiazine-6-carboxylic acid, 9-fluoro-3-(fluoromethyl)-2,3-dihydro-10-(4-methyl-1-piperazinyl)-7-oxo-, 7-Fluoro-2-(fluoromethyl)-6-(4-methylpiperazin-1-yl)-10-oxo-4-thia-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid
| Molecular Formula | C18H19F2N3O3S |
|---|---|
| Molecular Weight | 395.11 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 89.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 395.1115 |
| Heavy Atoms | 27 |
| Complexity | 656.0 |
Chemical Identifiers
| CAS Number | 138372-76-6 |
|---|---|
| SMILES | CN1CCN(CC1)C2=C(C=C3C4=C2SCC(N4C=C(C3=O)C(=O)O)CF)F |
| InChIKey | YHMYZZSLDKKBQL-UHFFFAOYSA-N |
Product Overview
MF 961 (CAS 138372-76-6), with molecular formula C18H19F2N3O3S and molecular weight 395.11 g/mol. IUPAC: 7-fluoro-2-(fluoromethyl)-6-(4-methylpiperazin-1-yl)-10-oxo-4-thia-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid.
Chemical Property Profile of MF 961
Property Insights of MF 961
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for MF 961. The TPSA of 89.4 Ų falls within the moderate polarity range, balancing permeability and solubility for MF 961. Following Lipinski's Rule of Five, MF 961 has 1 hydrogen bond donor(s) and 9 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 MF 961?
The CAS number of MF 961 is 138372-76-6.
What is the molecular formula of MF 961?
The molecular formula of MF 961 is C18H19F2N3O3S.
What is the molecular weight of MF 961?
The molecular weight of MF 961 is 395.11 g/mol.
Where can I buy MF 961?
You can request a quote for MF 961 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for MF 961?
Yes, KEHONG BIO provides custom synthesis services for MF 961 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.