C22H16BrN5O3S
TL;DR: C22H16BrN5O3S (CAS 754206-05-8) is a chemical compound with molecular formula C22H16BrN5O3S and molecular weight 509.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-[[4-(4-bromophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid
Also Known As: 4-[[2-[[4-(4-bromophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic Acid, 4-{2-[4-(4-bromophenyl)-5-(4-pyridyl)-1,2,4-triazol-3-ylthio]acetylamino}benzo ic acid, 4-(2-((4-(4-bromophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoic acid, 4-(2-{[4-(4-bromophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoic acid
| Molecular Formula | C22H16BrN5O3S |
|---|---|
| Molecular Weight | 509.02 g/mol |
| LogP | 4.5208 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 509.01572 |
| Heavy Atoms | 32 |
| Complexity | 1245.0686 |
Chemical Identifiers
| CAS Number | 754206-05-8 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)O)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Br)C4=CC=NC=C4 |
Product Overview
C22H16BrN5O3S (CAS 754206-05-8), with molecular formula C22H16BrN5O3S and molecular weight 509.02 g/mol. IUPAC: 4-[[2-[[4-(4-bromophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoic acid.
Chemical Property Profile of C22H16BrN5O3S
Property Insights of C22H16BrN5O3S
The XLogP value of 4.5208 indicates that C22H16BrN5O3S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for C22H16BrN5O3S. Following Lipinski's Rule of Five, C22H16BrN5O3S has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C22H16BrN5O3S?
The CAS number of C22H16BrN5O3S is 754206-05-8.
What is the molecular formula of C22H16BrN5O3S?
The molecular formula of C22H16BrN5O3S is C22H16BrN5O3S.
What is the molecular weight of C22H16BrN5O3S?
The molecular weight of C22H16BrN5O3S is 509.02 g/mol.
Where can I buy C22H16BrN5O3S?
You can request a quote for C22H16BrN5O3S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C22H16BrN5O3S?
Yes, KEHONG BIO provides custom synthesis services for C22H16BrN5O3S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.