KSC-12-171-B5
TL;DR: KSC-12-171-B5 (CAS 577986-65-3) is a chemical compound with molecular formula C19H15BrN4OS and molecular weight 426.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[5-[(4-bromophenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine
Also Known As: KSC-12-171-B5, 4-[5-[(4-bromophenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine, 4-[5-[(4-bromobenzyl)thio]-4-(2-furfuryl)-1,2,4-triazol-3-yl]pyridine, 3-[(4-bromophenyl)methylthio]-4-(2-furylmethyl)-5-(4-pyridyl)-1,2,4-triazole, 4-(5-((4-bromobenzyl)thio)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)pyridine
| Molecular Formula | C19H15BrN4OS |
|---|---|
| Molecular Weight | 426.01 g/mol |
| LogP | 5.0362 |
| Topological Polar Surface Area | 56.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 426.01498 |
| Heavy Atoms | 26 |
| Complexity | 968.7189 |
Chemical Identifiers
| CAS Number | 577986-65-3 |
|---|---|
| SMILES | C1=COC(=C1)CN2C(=NN=C2SCC3=CC=C(C=C3)Br)C4=CC=NC=C4 |
Product Overview
KSC-12-171-B5 (CAS 577986-65-3), with molecular formula C19H15BrN4OS and molecular weight 426.01 g/mol. IUPAC: 4-[5-[(4-bromophenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]pyridine.
Chemical Property Profile of KSC-12-171-B5
Property Insights of KSC-12-171-B5
The XLogP value of 5.0362 indicates that KSC-12-171-B5 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.74 Ų, KSC-12-171-B5 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, KSC-12-171-B5 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of KSC-12-171-B5?
The CAS number of KSC-12-171-B5 is 577986-65-3.
What is the molecular formula of KSC-12-171-B5?
The molecular formula of KSC-12-171-B5 is C19H15BrN4OS.
What is the molecular weight of KSC-12-171-B5?
The molecular weight of KSC-12-171-B5 is 426.01 g/mol.
Where can I buy KSC-12-171-B5?
You can request a quote for KSC-12-171-B5 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KSC-12-171-B5?
Yes, KEHONG BIO provides custom synthesis services for KSC-12-171-B5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.