2T-0300
TL;DR: 2T-0300 (CAS 861209-33-8) is a chemical compound with molecular formula C21H13ClF3N3S and molecular weight 431.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile
Also Known As: 2T-0300, 3-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl}-1-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile, 3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-1-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile, 3-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl}-1-phenyl-5H,6H,7H-cyclopenta[c]pyridine-4-carbonitrile
| Molecular Formula | C21H13ClF3N3S |
|---|---|
| Molecular Weight | 431.05 g/mol |
| LogP | 6.32738 |
| Topological Polar Surface Area | 49.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 431.0471 |
| Heavy Atoms | 29 |
| Complexity | 1124.7408 |
Chemical Identifiers
| CAS Number | 861209-33-8 |
|---|---|
| SMILES | C1CC2=C(C1)C(=NC(=C2C#N)SC3=C(C=C(C=N3)C(F)(F)F)Cl)C4=CC=CC=C4 |
Product Overview
2T-0300 (CAS 861209-33-8), with molecular formula C21H13ClF3N3S and molecular weight 431.05 g/mol. IUPAC: 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile.
Chemical Property Profile of 2T-0300
Property Insights of 2T-0300
The XLogP value of 6.32738 indicates that 2T-0300 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.57 Ų, 2T-0300 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2T-0300 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 2T-0300?
The CAS number of 2T-0300 is 861209-33-8.
What is the molecular formula of 2T-0300?
The molecular formula of 2T-0300 is C21H13ClF3N3S.
What is the molecular weight of 2T-0300?
The molecular weight of 2T-0300 is 431.05 g/mol.
Where can I buy 2T-0300?
You can request a quote for 2T-0300 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2T-0300?
Yes, KEHONG BIO provides custom synthesis services for 2T-0300 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.