2J-907
TL;DR: 2J-907 (CAS 338772-53-5) is a chemical compound with molecular formula C17H11ClF3N3O2S and molecular weight 413.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]-3-phenylsulfanylpyrrole-2,5-dione
Also Known As: 2J-907, 1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-3-(phenylsulfanyl)-1H-pyrrole-2,5-dione, 1-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-methylamino]-3-phenylsulfanylpyrrole-2,5-dione, 1-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl](methyl)amino}-3-(phenylsulfanyl)-2,5-dihydro-1H-pyrrole-2,5-dione, 1-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-methyl-amino]-3-phenylsulfanyl-pyrrole-2,5-dione
| Molecular Formula | C17H11ClF3N3O2S |
|---|---|
| Molecular Weight | 413.02 g/mol |
| LogP | 4.15 |
| Topological Polar Surface Area | 53.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 413.02127 |
| Heavy Atoms | 27 |
| Complexity | 934.76605 |
Chemical Identifiers
| CAS Number | 338772-53-5 |
|---|---|
| SMILES | CN(C1=C(C=C(C=N1)C(F)(F)F)Cl)N2C(=O)C=C(C2=O)SC3=CC=CC=C3 |
Product Overview
2J-907 (CAS 338772-53-5), with molecular formula C17H11ClF3N3O2S and molecular weight 413.02 g/mol. IUPAC: 1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]-3-phenylsulfanylpyrrole-2,5-dione.
Chemical Property Profile of 2J-907
Property Insights of 2J-907
The XLogP value of 4.15 indicates that 2J-907 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.51 Ų, 2J-907 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2J-907 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 2J-907?
The CAS number of 2J-907 is 338772-53-5.
What is the molecular formula of 2J-907?
The molecular formula of 2J-907 is C17H11ClF3N3O2S.
What is the molecular weight of 2J-907?
The molecular weight of 2J-907 is 413.02 g/mol.
Where can I buy 2J-907?
You can request a quote for 2J-907 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2J-907?
Yes, KEHONG BIO provides custom synthesis services for 2J-907 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.