5TIO1 compound
TL;DR: 5TIO1 compound (CAS 296242-77-8) is a chemical compound with molecular formula C15H10Cl2N2S and molecular weight 319.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2,6-dichlorophenyl)methylideneamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile
Also Known As: 5TIO1 compound, 2-[(2,6-dichlorobenzylidene)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile, 2-[(2,6-dichlorophenyl)methylideneamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile, 2-((2,6-dichlorobenzylidene)amino)-5,6-dihydro-4H-cyclopenta(b)thiophene-3-carbonitrile, RefChem:908959
| Molecular Formula | C15H10Cl2N2S |
|---|---|
| Molecular Weight | 319.99 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 64.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 319.99417 |
| Heavy Atoms | 20 |
| Complexity | 423.0 |
Chemical Identifiers
| CAS Number | 296242-77-8 |
|---|---|
| SMILES | C1CC2=C(C1)SC(=C2C#N)N=CC3=C(C=CC=C3Cl)Cl |
| InChIKey | GXZHPUFPTBGANZ-UHFFFAOYSA-N |
Product Overview
5TIO1 compound (CAS 296242-77-8), with molecular formula C15H10Cl2N2S and molecular weight 319.99 g/mol. IUPAC: 2-[(2,6-dichlorophenyl)methylideneamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile.
Chemical Property Profile of 5TIO1 compound
Property Insights of 5TIO1 compound
The XLogP value of 4.9 indicates that 5TIO1 compound is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 5TIO1 compound. Following Lipinski's Rule of Five, 5TIO1 compound has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5TIO1 compound?
The CAS number of 5TIO1 compound is 296242-77-8.
What is the molecular formula of 5TIO1 compound?
The molecular formula of 5TIO1 compound is C15H10Cl2N2S.
What is the molecular weight of 5TIO1 compound?
The molecular weight of 5TIO1 compound is 319.99 g/mol.
Where can I buy 5TIO1 compound?
You can request a quote for 5TIO1 compound directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5TIO1 compound?
Yes, KEHONG BIO provides custom synthesis services for 5TIO1 compound and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.