9N-511S
TL;DR: 9N-511S (CAS 956754-27-1) is a chemical compound with molecular formula C14H20ClF3N4O2 and molecular weight 368.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-morpholin-4-ylmethyl]morpholine
Also Known As: 9N-511S, 4-[[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl](morpholino)methyl]morpholine, 4-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-morpholin-4-ylmethyl]morpholine, 4-{[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl](morpholin-4-yl)methyl}morpholine, 4-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-morpholin-4-yl-methyl]morpholine
| Molecular Formula | C14H20ClF3N4O2 |
|---|---|
| Molecular Weight | 368.12 g/mol |
| LogP | 1.7553 |
| Topological Polar Surface Area | 42.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 368.12268 |
| Heavy Atoms | 24 |
| Complexity | 551.10114 |
Chemical Identifiers
| CAS Number | 956754-27-1 |
|---|---|
| SMILES | CN1C(=C(C(=N1)C(F)(F)F)C(N2CCOCC2)N3CCOCC3)Cl |
Product Overview
9N-511S (CAS 956754-27-1), with molecular formula C14H20ClF3N4O2 and molecular weight 368.12 g/mol. IUPAC: 4-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-morpholin-4-ylmethyl]morpholine.
Chemical Property Profile of 9N-511S
Property Insights of 9N-511S
The XLogP value of 1.7553 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9N-511S. With a topological polar surface area (TPSA) of 42.76 Ų, 9N-511S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9N-511S has 0 hydrogen bond donor(s) and 5 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 9N-511S?
The CAS number of 9N-511S is 956754-27-1.
What is the molecular formula of 9N-511S?
The molecular formula of 9N-511S is C14H20ClF3N4O2.
What is the molecular weight of 9N-511S?
The molecular weight of 9N-511S is 368.12 g/mol.
Where can I buy 9N-511S?
You can request a quote for 9N-511S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9N-511S?
Yes, KEHONG BIO provides custom synthesis services for 9N-511S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.