2T-0304
TL;DR: 2T-0304 (CAS 439096-54-5) is a chemical compound with molecular formula C26H25FN2S and molecular weight 416.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-tert-butylphenyl)-3-[(4-fluorophenyl)methylsulfanyl]-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile
Also Known As: 2T-0304, 1-[4-(tert-butyl)phenyl]-3-[(4-fluorobenzyl)sulfanyl]-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile, 1-(4-tert-butylphenyl)-3-[(4-fluorophenyl)methylsulfanyl]-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile, 1-(4-tert-butylphenyl)-3-{[(4-fluorophenyl)methyl]sulfanyl}-5H,6H,7H-cyclopenta[c]pyridine-4-carbonitrile
| Molecular Formula | C26H25FN2S |
|---|---|
| Molecular Weight | 416.17 g/mol |
| LogP | 6.83788 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 416.17224 |
| Heavy Atoms | 30 |
| Complexity | 1104.2461 |
Chemical Identifiers
| CAS Number | 439096-54-5 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C2=NC(=C(C3=C2CCC3)C#N)SCC4=CC=C(C=C4)F |
Product Overview
2T-0304 (CAS 439096-54-5), with molecular formula C26H25FN2S and molecular weight 416.17 g/mol. IUPAC: 1-(4-tert-butylphenyl)-3-[(4-fluorophenyl)methylsulfanyl]-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile.
Chemical Property Profile of 2T-0304
Property Insights of 2T-0304
The XLogP value of 6.83788 indicates that 2T-0304 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-0304 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2T-0304 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-0304?
The CAS number of 2T-0304 is 439096-54-5.
What is the molecular formula of 2T-0304?
The molecular formula of 2T-0304 is C26H25FN2S.
What is the molecular weight of 2T-0304?
The molecular weight of 2T-0304 is 416.17 g/mol.
Where can I buy 2T-0304?
You can request a quote for 2T-0304 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2T-0304?
Yes, KEHONG BIO provides custom synthesis services for 2T-0304 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.