4J-903
TL;DR: 4J-903 (CAS 318247-37-9) is a chemical compound with molecular formula C16H16ClF3N4O4S and molecular weight 452.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 7-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-5,8-dioxo-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-3-carboxylate
Also Known As: 4J-903, methyl 7-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-5,8-dioxohexahydro[1,3]thiazolo[3,4-a]pyrazine-3-carboxylate, methyl 7-[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]-5,8-dioxo-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-3-carboxylate, methyl 7-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)-5,8-dioxo-hexahydro-1H-[1,3]thiazolo[3,4-a]pyrazine-3-carboxylate, methyl 7-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)-5,8-dioxo-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-3-carboxylate
| Molecular Formula | C16H16ClF3N4O4S |
|---|---|
| Molecular Weight | 452.05 g/mol |
| LogP | 1.451 |
| Topological Polar Surface Area | 91.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 452.05328 |
| Heavy Atoms | 29 |
| Complexity | 840.87317 |
Chemical Identifiers
| CAS Number | 318247-37-9 |
|---|---|
| SMILES | COC(=O)C1N2C(CS1)C(=O)N(CC2=O)CCNC3=C(C=C(C=N3)C(F)(F)F)Cl |
Product Overview
4J-903 (CAS 318247-37-9), with molecular formula C16H16ClF3N4O4S and molecular weight 452.05 g/mol. IUPAC: methyl 7-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-5,8-dioxo-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-3-carboxylate.
Chemical Property Profile of 4J-903
Property Insights of 4J-903
The XLogP value of 1.451 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4J-903. The TPSA of 91.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 4J-903. Following Lipinski's Rule of Five, 4J-903 has 1 hydrogen bond donor(s) and 7 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 4J-903?
The CAS number of 4J-903 is 318247-37-9.
What is the molecular formula of 4J-903?
The molecular formula of 4J-903 is C16H16ClF3N4O4S.
What is the molecular weight of 4J-903?
The molecular weight of 4J-903 is 452.05 g/mol.
Where can I buy 4J-903?
You can request a quote for 4J-903 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4J-903?
Yes, KEHONG BIO provides custom synthesis services for 4J-903 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.