ChemDiv1_005227
TL;DR: ChemDiv1_005227 (CAS 326007-99-2) is a chemical compound with molecular formula C27H21N5O3S2 and molecular weight 527.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-[2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]benzenesulfonamide
Also Known As: ChemDiv1_005227, BIM-0003382.P001, F0818-0070, N-(4-(2-((4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)acetyl)phenyl)benzenesulfonamide, N-[4-(2-{[4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)phenyl]benzenesulfonamide
| Molecular Formula | C27H21N5O3S2 |
|---|---|
| Molecular Weight | 527.11 g/mol |
| LogP | 5.1051 |
| Topological Polar Surface Area | 106.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 527.1086 |
| Heavy Atoms | 37 |
| Complexity | 1607.7552 |
Chemical Identifiers
| CAS Number | 326007-99-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC=C4)C5=CC=NC=C5 |
Product Overview
ChemDiv1_005227 (CAS 326007-99-2), with molecular formula C27H21N5O3S2 and molecular weight 527.11 g/mol. IUPAC: N-[4-[2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]benzenesulfonamide.
Chemical Property Profile of ChemDiv1_005227
Property Insights of ChemDiv1_005227
The XLogP value of 5.1051 indicates that ChemDiv1_005227 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.84 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_005227. Following Lipinski's Rule of Five, ChemDiv1_005227 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_005227?
The CAS number of ChemDiv1_005227 is 326007-99-2.
What is the molecular formula of ChemDiv1_005227?
The molecular formula of ChemDiv1_005227 is C27H21N5O3S2.
What is the molecular weight of ChemDiv1_005227?
The molecular weight of ChemDiv1_005227 is 527.11 g/mol.
Where can I buy ChemDiv1_005227?
You can request a quote for ChemDiv1_005227 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_005227?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_005227 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.