2J-948
TL;DR: 2J-948 (CAS 338772-92-2) is a chemical compound with molecular formula C19H17ClF3N5 and molecular weight 407.11 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]-4-(3-pyrrol-1-yl-2-pyridinyl)piperazine
Also Known As: 2J-948, 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-[3-(1H-pyrrol-1-yl)-2-pyridinyl]piperazine, 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-4-(3-pyrrol-1-ylpyridin-2-yl)piperazine, 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-4-[3-(1H-pyrrol-1-yl)pyridin-2-yl]piperazine
| Molecular Formula | C19H17ClF3N5 |
|---|---|
| Molecular Weight | 407.11 g/mol |
| LogP | 4.2661 |
| Topological Polar Surface Area | 37.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 407.11246 |
| Heavy Atoms | 28 |
| Complexity | 950.453 |
Chemical Identifiers
| CAS Number | 338772-92-2 |
|---|---|
| SMILES | C1CN(CCN1C2=C(C=CC=N2)N3C=CC=C3)C4=C(C=C(C=N4)C(F)(F)F)Cl |
Product Overview
2J-948 (CAS 338772-92-2), with molecular formula C19H17ClF3N5 and molecular weight 407.11 g/mol. IUPAC: 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(3-pyrrol-1-yl-2-pyridinyl)piperazine.
Chemical Property Profile of 2J-948
Property Insights of 2J-948
The XLogP value of 4.2661 indicates that 2J-948 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.19 Ų, 2J-948 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2J-948 has 0 hydrogen bond donor(s) and 4 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-948?
The CAS number of 2J-948 is 338772-92-2.
What is the molecular formula of 2J-948?
The molecular formula of 2J-948 is C19H17ClF3N5.
What is the molecular weight of 2J-948?
The molecular weight of 2J-948 is 407.11 g/mol.
Where can I buy 2J-948?
You can request a quote for 2J-948 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2J-948?
Yes, KEHONG BIO provides custom synthesis services for 2J-948 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.