3H-900
TL;DR: 3H-900 (CAS 338409-88-4) is a chemical compound with molecular formula C13H15ClF6N4O2S and molecular weight 440.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,1,1-trifluoromethanesulfonamide
Also Known As: 3H-900, N-(2-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}ethyl)(trifluoro)methanesulfonamide, N-(2-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}ethyl)-1,1,1-trifluoromethanesulfonamide, N-[2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]ethyl]-1,1,1-trifluoromethanesulfonamide
| Molecular Formula | C13H15ClF6N4O2S |
|---|---|
| Molecular Weight | 440.05 g/mol |
| LogP | 2.315 |
| Topological Polar Surface Area | 65.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 440.05084 |
| Heavy Atoms | 27 |
| Complexity | 763.04877 |
Chemical Identifiers
| CAS Number | 338409-88-4 |
|---|---|
| SMILES | C1CN(CCN1CCNS(=O)(=O)C(F)(F)F)C2=C(C=C(C=N2)C(F)(F)F)Cl |
Product Overview
3H-900 (CAS 338409-88-4), with molecular formula C13H15ClF6N4O2S and molecular weight 440.05 g/mol. IUPAC: N-[2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-1,1,1-trifluoromethanesulfonamide.
Chemical Property Profile of 3H-900
Property Insights of 3H-900
The XLogP value of 2.315 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3H-900. The TPSA of 65.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 3H-900. Following Lipinski's Rule of Five, 3H-900 has 1 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 3H-900?
The CAS number of 3H-900 is 338409-88-4.
What is the molecular formula of 3H-900?
The molecular formula of 3H-900 is C13H15ClF6N4O2S.
What is the molecular weight of 3H-900?
The molecular weight of 3H-900 is 440.05 g/mol.
Where can I buy 3H-900?
You can request a quote for 3H-900 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3H-900?
Yes, KEHONG BIO provides custom synthesis services for 3H-900 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.