4T-0272
TL;DR: 4T-0272 (CAS 439108-58-4) is a chemical compound with molecular formula C24H19F3N2S and molecular weight 424.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2-methylphenyl)methylsulfanyl]-1-[3-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile
Also Known As: 4T-0272, 3-[(2-methylbenzyl)sulfanyl]-1-[3-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile, 3-[(2-methylphenyl)methylsulfanyl]-1-[3-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile, 3-((2-Methylbenzyl)thio)-1-(3-(trifluoromethyl)phenyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile, 3-{[(2-methylphenyl)methyl]sulfanyl}-1-[3-(trifluoromethyl)phenyl]-5H,6H,7H-cyclopenta[c]pyridine-4-carbonitrile
| Molecular Formula | C24H19F3N2S |
|---|---|
| Molecular Weight | 424.12 g/mol |
| LogP | 6.7285 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 424.1221 |
| Heavy Atoms | 30 |
| Complexity | 1146.1636 |
Chemical Identifiers
| CAS Number | 439108-58-4 |
|---|---|
| SMILES | CC1=CC=CC=C1CSC2=C(C3=C(CCC3)C(=N2)C4=CC(=CC=C4)C(F)(F)F)C#N |
Product Overview
4T-0272 (CAS 439108-58-4), with molecular formula C24H19F3N2S and molecular weight 424.12 g/mol. IUPAC: 3-[(2-methylphenyl)methylsulfanyl]-1-[3-(trifluoromethyl)phenyl]-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile.
Chemical Property Profile of 4T-0272
Property Insights of 4T-0272
The XLogP value of 6.7285 indicates that 4T-0272 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.68 Ų, 4T-0272 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4T-0272 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 4T-0272?
The CAS number of 4T-0272 is 439108-58-4.
What is the molecular formula of 4T-0272?
The molecular formula of 4T-0272 is C24H19F3N2S.
What is the molecular weight of 4T-0272?
The molecular weight of 4T-0272 is 424.12 g/mol.
Where can I buy 4T-0272?
You can request a quote for 4T-0272 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4T-0272?
Yes, KEHONG BIO provides custom synthesis services for 4T-0272 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.