UPCMLD0ENAT5859331:001
TL;DR: UPCMLD0ENAT5859331:001 (CAS 445266-52-4) is a chemical compound with molecular formula C14H8F3N3S2 and molecular weight 339.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-cyanoethylsulfanyl)-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
Also Known As: UPCMLD0ENAT5859331:001, BAS 06900350, 2-(2-cyanoethylsulfanyl)-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile, AM-807/13104265, 2-[(2-cyanoethyl)sulfanyl]-6-(2-thienyl)-4-(trifluoromethyl)nicotinonitrile
| Molecular Formula | C14H8F3N3S2 |
|---|---|
| Molecular Weight | 339.01 g/mol |
| LogP | 4.70636 |
| Topological Polar Surface Area | 60.47 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 339.01117 |
| Heavy Atoms | 22 |
| Complexity | 740.41425 |
Chemical Identifiers
| CAS Number | 445266-52-4 |
|---|---|
| SMILES | C1=CSC(=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCCC#N |
Product Overview
UPCMLD0ENAT5859331:001 (CAS 445266-52-4), with molecular formula C14H8F3N3S2 and molecular weight 339.01 g/mol. IUPAC: 2-(2-cyanoethylsulfanyl)-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile.
Chemical Property Profile of UPCMLD0ENAT5859331:001
Property Insights of UPCMLD0ENAT5859331:001
The XLogP value of 4.70636 indicates that UPCMLD0ENAT5859331:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.47 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5859331:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5859331:001 has 0 hydrogen bond donor(s) and 5 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 UPCMLD0ENAT5859331:001?
The CAS number of UPCMLD0ENAT5859331:001 is 445266-52-4.
What is the molecular formula of UPCMLD0ENAT5859331:001?
The molecular formula of UPCMLD0ENAT5859331:001 is C14H8F3N3S2.
What is the molecular weight of UPCMLD0ENAT5859331:001?
The molecular weight of UPCMLD0ENAT5859331:001 is 339.01 g/mol.
Where can I buy UPCMLD0ENAT5859331:001?
You can request a quote for UPCMLD0ENAT5859331:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5859331:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5859331:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.