2T-0354
TL;DR: 2T-0354 (CAS 439096-92-1) is a chemical compound with molecular formula C23H18ClFN2S and molecular weight 408.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-3-[(3-fluorophenyl)methylsulfanyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Also Known As: 2T-0354, 1-(4-chlorophenyl)-3-[(3-fluorobenzyl)sulfanyl]-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile, 1-(4-chlorophenyl)-3-[(3-fluorophenyl)methylsulfanyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile, 1-(4-chlorophenyl)-3-{[(3-fluorophenyl)methyl]sulfanyl}-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
| Molecular Formula | C23H18ClFN2S |
|---|---|
| Molecular Weight | 408.09 g/mol |
| LogP | 6.58388 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 408.08633 |
| Heavy Atoms | 28 |
| Complexity | 1057.4329 |
Chemical Identifiers
| CAS Number | 439096-92-1 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(N=C2C3=CC=C(C=C3)Cl)SCC4=CC(=CC=C4)F)C#N |
Product Overview
2T-0354 (CAS 439096-92-1), with molecular formula C23H18ClFN2S and molecular weight 408.09 g/mol. IUPAC: 1-(4-chlorophenyl)-3-[(3-fluorophenyl)methylsulfanyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile.
Chemical Property Profile of 2T-0354
Property Insights of 2T-0354
The XLogP value of 6.58388 indicates that 2T-0354 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-0354 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2T-0354 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-0354?
The CAS number of 2T-0354 is 439096-92-1.
What is the molecular formula of 2T-0354?
The molecular formula of 2T-0354 is C23H18ClFN2S.
What is the molecular weight of 2T-0354?
The molecular weight of 2T-0354 is 408.09 g/mol.
Where can I buy 2T-0354?
You can request a quote for 2T-0354 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2T-0354?
Yes, KEHONG BIO provides custom synthesis services for 2T-0354 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.