C20H13BrF2N4S
TL;DR: C20H13BrF2N4S (CAS 676590-69-5) is a chemical compound with molecular formula C20H13BrF2N4S and molecular weight 458.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-(4-bromophenyl)-5-[(2,6-difluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine
Also Known As: 4-{4-(4-bromophenyl)-5-[(2,6-difluorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}pyridine, 4-[4-(4-bromophenyl)-5-[(2,6-difluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine, 4-(4-(4-bromophenyl)-5-((2,6-difluorobenzyl)thio)-4H-1,2,4-triazol-3-yl)pyridine
| Molecular Formula | C20H13BrF2N4S |
|---|---|
| Molecular Weight | 458.00 g/mol |
| LogP | 5.6623 |
| Topological Polar Surface Area | 43.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 458.00125 |
| Heavy Atoms | 28 |
| Complexity | 1080.9061 |
Chemical Identifiers
| CAS Number | 676590-69-5 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)F)CSC2=NN=C(N2C3=CC=C(C=C3)Br)C4=CC=NC=C4)F |
Product Overview
C20H13BrF2N4S (CAS 676590-69-5), with molecular formula C20H13BrF2N4S and molecular weight 458.00 g/mol. IUPAC: 4-[4-(4-bromophenyl)-5-[(2,6-difluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine.
Chemical Property Profile of C20H13BrF2N4S
Property Insights of C20H13BrF2N4S
The XLogP value of 5.6623 indicates that C20H13BrF2N4S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.6 Ų, C20H13BrF2N4S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C20H13BrF2N4S has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C20H13BrF2N4S?
The CAS number of C20H13BrF2N4S is 676590-69-5.
What is the molecular formula of C20H13BrF2N4S?
The molecular formula of C20H13BrF2N4S is C20H13BrF2N4S.
What is the molecular weight of C20H13BrF2N4S?
The molecular weight of C20H13BrF2N4S is 458.00 g/mol.
Where can I buy C20H13BrF2N4S?
You can request a quote for C20H13BrF2N4S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C20H13BrF2N4S?
Yes, KEHONG BIO provides custom synthesis services for C20H13BrF2N4S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.