2T-0322
TL;DR: 2T-0322 (CAS 861209-35-0) is a chemical compound with molecular formula C23H16BrF3N2S and molecular weight 488.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-bromophenyl)-3-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile
Also Known As: 2T-0322, 1-(4-bromophenyl)-3-{[3-(trifluoromethyl)benzyl]sulfanyl}-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile, 1-(4-bromophenyl)-3-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile, 1-(4-bromophenyl)-3-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-5H,6H,7H-cyclopenta[c]pyridine-4-carbonitrile, 1-(4-Bromophenyl)-3-((3-(trifluoromethyl)benzyl)thio)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile
| Molecular Formula | C23H16BrF3N2S |
|---|---|
| Molecular Weight | 488.02 g/mol |
| LogP | 7.18258 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 488.01697 |
| Heavy Atoms | 30 |
| Complexity | 1134.9108 |
Chemical Identifiers
| CAS Number | 861209-35-0 |
|---|---|
| SMILES | C1CC2=C(C1)C(=NC(=C2C#N)SCC3=CC(=CC=C3)C(F)(F)F)C4=CC=C(C=C4)Br |
Product Overview
2T-0322 (CAS 861209-35-0), with molecular formula C23H16BrF3N2S and molecular weight 488.02 g/mol. IUPAC: 1-(4-bromophenyl)-3-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile.
Chemical Property Profile of 2T-0322
Property Insights of 2T-0322
The XLogP value of 7.18258 indicates that 2T-0322 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.68 Ų, 2T-0322 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2T-0322 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2T-0322?
The CAS number of 2T-0322 is 861209-35-0.
What is the molecular formula of 2T-0322?
The molecular formula of 2T-0322 is C23H16BrF3N2S.
What is the molecular weight of 2T-0322?
The molecular weight of 2T-0322 is 488.02 g/mol.
Where can I buy 2T-0322?
You can request a quote for 2T-0322 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2T-0322?
Yes, KEHONG BIO provides custom synthesis services for 2T-0322 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.