4T-0252
TL;DR: 4T-0252 (CAS 439108-56-2) is a chemical compound with molecular formula C23H17ClN2OS and molecular weight 404.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-1-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile
Also Known As: 4T-0252, 3-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-1-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile, 3-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-1-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile, 3-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-1-phenyl-5H,6H,7H-cyclopenta[c]pyridine-4-carbonitrile
| Molecular Formula | C23H17ClN2OS |
|---|---|
| Molecular Weight | 404.07 g/mol |
| LogP | 5.73738 |
| Topological Polar Surface Area | 53.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 404.075 |
| Heavy Atoms | 28 |
| Complexity | 1072.4967 |
Chemical Identifiers
| CAS Number | 439108-56-2 |
|---|---|
| SMILES | C1CC2=C(C1)C(=NC(=C2C#N)SCC(=O)C3=CC=C(C=C3)Cl)C4=CC=CC=C4 |
Product Overview
4T-0252 (CAS 439108-56-2), with molecular formula C23H17ClN2OS and molecular weight 404.07 g/mol. IUPAC: 3-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-1-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile.
Chemical Property Profile of 4T-0252
Property Insights of 4T-0252
The XLogP value of 5.73738 indicates that 4T-0252 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.75 Ų, 4T-0252 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4T-0252 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4T-0252?
The CAS number of 4T-0252 is 439108-56-2.
What is the molecular formula of 4T-0252?
The molecular formula of 4T-0252 is C23H17ClN2OS.
What is the molecular weight of 4T-0252?
The molecular weight of 4T-0252 is 404.07 g/mol.
Where can I buy 4T-0252?
You can request a quote for 4T-0252 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4T-0252?
Yes, KEHONG BIO provides custom synthesis services for 4T-0252 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.