4H-906
TL;DR: 4H-906 (CAS 338422-38-1) is a chemical compound with molecular formula C15H16ClF3N6S and molecular weight 404.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-amino-3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-cyano-N-methylprop-2-enethioamide
Also Known As: 4H-906, (2E)-3-amino-3-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}-2-cyano-N-methylprop-2-enethioamide, (E)-3-amino-3-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-2-cyano-N-methylprop-2-enethioamide, 3-Amino-3-(4-(3-chloro-5-(trifluoromethyl)-2-pyridinyl)piperazino)-2-cyano-N-methyl-2-propenethioamide, 3-amino-3-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-2-cyano-N-methyl-2-propenethioamide
| Molecular Formula | C15H16ClF3N6S |
|---|---|
| Molecular Weight | 404.08 g/mol |
| LogP | 2.11648 |
| Topological Polar Surface Area | 81.21 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 404.07977 |
| Heavy Atoms | 26 |
| Complexity | 765.62573 |
Chemical Identifiers
| CAS Number | 338422-38-1 |
|---|---|
| SMILES | CNC(=S)/C(=C(\N)/N1CCN(CC1)C2=C(C=C(C=N2)C(F)(F)F)Cl)/C#N |
Product Overview
4H-906 (CAS 338422-38-1), with molecular formula C15H16ClF3N6S and molecular weight 404.08 g/mol. IUPAC: (E)-3-amino-3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-2-cyano-N-methylprop-2-enethioamide.
Chemical Property Profile of 4H-906
Property Insights of 4H-906
The XLogP value of 2.11648 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H-906. The TPSA of 81.21 Ų falls within the moderate polarity range, balancing permeability and solubility for 4H-906. Following Lipinski's Rule of Five, 4H-906 has 2 hydrogen bond donor(s) and 6 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 4H-906?
The CAS number of 4H-906 is 338422-38-1.
What is the molecular formula of 4H-906?
The molecular formula of 4H-906 is C15H16ClF3N6S.
What is the molecular weight of 4H-906?
The molecular weight of 4H-906 is 404.08 g/mol.
Where can I buy 4H-906?
You can request a quote for 4H-906 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H-906?
Yes, KEHONG BIO provides custom synthesis services for 4H-906 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.