BAS 02053227
TL;DR: BAS 02053227 (CAS 443739-90-0) is a chemical compound with molecular formula C22H15Cl2N5O3S and molecular weight 499.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chloro-3-nitrophenyl)-2-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: BAS 02053227, N-(4-Chloro-3-nitrophenyl)-2-((5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide, N-(4-Chloro-3-nitro-phenyl)-2-[5-(4-chloro-phenyl)-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl]-acetamide, N-(4-chloro-3-nitrophenyl)-2-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
| Molecular Formula | C22H15Cl2N5O3S |
|---|---|
| Molecular Weight | 499.03 g/mol |
| LogP | 5.8801 |
| Topological Polar Surface Area | 102.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 499.02725 |
| Heavy Atoms | 33 |
| Complexity | 1313.6232 |
Chemical Identifiers
| CAS Number | 443739-90-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC(=C(C=C3)Cl)[N+](=O)[O-])C4=CC=C(C=C4)Cl |
Product Overview
BAS 02053227 (CAS 443739-90-0), with molecular formula C22H15Cl2N5O3S and molecular weight 499.03 g/mol. IUPAC: N-(4-chloro-3-nitrophenyl)-2-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of BAS 02053227
Property Insights of BAS 02053227
The XLogP value of 5.8801 indicates that BAS 02053227 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.95 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02053227. Following Lipinski's Rule of Five, BAS 02053227 has 1 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 BAS 02053227?
The CAS number of BAS 02053227 is 443739-90-0.
What is the molecular formula of BAS 02053227?
The molecular formula of BAS 02053227 is C22H15Cl2N5O3S.
What is the molecular weight of BAS 02053227?
The molecular weight of BAS 02053227 is 499.03 g/mol.
Where can I buy BAS 02053227?
You can request a quote for BAS 02053227 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02053227?
Yes, KEHONG BIO provides custom synthesis services for BAS 02053227 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.