XILRKAOXCKEMES-UHFFFAOYSA-
TL;DR: XILRKAOXCKEMES-UHFFFAOYSA- (CAS 78578-72-0) is a chemical compound with molecular formula C19H12F2N2OS and molecular weight 354.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(difluoromethoxy)phenyl]-6-phenyl-2-sulfanylidene-1H-pyridine-3-carbonitrile
Also Known As: XILRKAOXCKEMES-UHFFFAOYSA-, 3-Pyridinecarbonitrile, 1,2-dihydro-4-(2-(difluoromethoxy)phenyl)-6-phenyl-2-thioxo-, 1,2-Dihydro-4-(2-(difluoromethoxy)phenyl)-6-phenyl-2-thioxo-3-pyridinecarbonitrile, 4-[2-(Difluoromethoxy)phenyl]-6-phenyl-2-sulfanylidene-1,2-dihydropyridine-3-carbonitrile, 4-[2-(difluoromethoxy)phenyl]-6-phenyl-2-sulfanylidene-1H-pyridine-3-carbonitrile
| Molecular Formula | C19H12F2N2OS |
|---|---|
| Molecular Weight | 354.06 g/mol |
| LogP | 5.55127 |
| Topological Polar Surface Area | 48.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 354.06384 |
| Heavy Atoms | 25 |
| Complexity | 994.2962 |
Chemical Identifiers
| CAS Number | 78578-72-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CC(=C(C(=S)N2)C#N)C3=CC=CC=C3OC(F)F |
Product Overview
XILRKAOXCKEMES-UHFFFAOYSA- (CAS 78578-72-0), with molecular formula C19H12F2N2OS and molecular weight 354.06 g/mol. IUPAC: 4-[2-(difluoromethoxy)phenyl]-6-phenyl-2-sulfanylidene-1H-pyridine-3-carbonitrile.
Chemical Property Profile of XILRKAOXCKEMES-UHFFFAOYSA-
Property Insights of XILRKAOXCKEMES-UHFFFAOYSA-
The XLogP value of 5.55127 indicates that XILRKAOXCKEMES-UHFFFAOYSA- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.81 Ų, XILRKAOXCKEMES-UHFFFAOYSA- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, XILRKAOXCKEMES-UHFFFAOYSA- has 1 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 XILRKAOXCKEMES-UHFFFAOYSA-?
The CAS number of XILRKAOXCKEMES-UHFFFAOYSA- is 78578-72-0.
What is the molecular formula of XILRKAOXCKEMES-UHFFFAOYSA-?
The molecular formula of XILRKAOXCKEMES-UHFFFAOYSA- is C19H12F2N2OS.
What is the molecular weight of XILRKAOXCKEMES-UHFFFAOYSA-?
The molecular weight of XILRKAOXCKEMES-UHFFFAOYSA- is 354.06 g/mol.
Where can I buy XILRKAOXCKEMES-UHFFFAOYSA-?
You can request a quote for XILRKAOXCKEMES-UHFFFAOYSA- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for XILRKAOXCKEMES-UHFFFAOYSA-?
Yes, KEHONG BIO provides custom synthesis services for XILRKAOXCKEMES-UHFFFAOYSA- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.