KSC-5-287A1
TL;DR: KSC-5-287A1 (CAS 678155-99-2) is a chemical compound with molecular formula C19H15N5O3S and molecular weight 393.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(furan-2-ylmethyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine
Also Known As: KSC-5-287A1, 2-[4-(furan-2-ylmethyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine, 2-[4-(2-furfuryl)-5-[(4-nitrobenzyl)thio]-1,2,4-triazol-3-yl]pyridine, 2-(4-(furan-2-ylmethyl)-5-((4-nitrobenzyl)thio)-4H-1,2,4-triazol-3-yl)pyridine, 2-[4-(2-furanylmethyl)-5-[(4-nitrophenyl)methylthio]-1,2,4-triazol-3-yl]pyridine
| Molecular Formula | C19H15N5O3S |
|---|---|
| Molecular Weight | 393.09 g/mol |
| LogP | 4.1819 |
| Topological Polar Surface Area | 99.88 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 393.08957 |
| Heavy Atoms | 28 |
| Complexity | 1062.9193 |
Chemical Identifiers
| CAS Number | 678155-99-2 |
|---|---|
| SMILES | C1=CC=NC(=C1)C2=NN=C(N2CC3=CC=CO3)SCC4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
KSC-5-287A1 (CAS 678155-99-2), with molecular formula C19H15N5O3S and molecular weight 393.09 g/mol. IUPAC: 2-[4-(furan-2-ylmethyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine.
Chemical Property Profile of KSC-5-287A1
Property Insights of KSC-5-287A1
The XLogP value of 4.1819 indicates that KSC-5-287A1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.88 Ų falls within the moderate polarity range, balancing permeability and solubility for KSC-5-287A1. Following Lipinski's Rule of Five, KSC-5-287A1 has 0 hydrogen bond donor(s) and 7 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 KSC-5-287A1?
The CAS number of KSC-5-287A1 is 678155-99-2.
What is the molecular formula of KSC-5-287A1?
The molecular formula of KSC-5-287A1 is C19H15N5O3S.
What is the molecular weight of KSC-5-287A1?
The molecular weight of KSC-5-287A1 is 393.09 g/mol.
Where can I buy KSC-5-287A1?
You can request a quote for KSC-5-287A1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KSC-5-287A1?
Yes, KEHONG BIO provides custom synthesis services for KSC-5-287A1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.