BAS 02069880
TL;DR: BAS 02069880 (CAS 433702-48-8) is a chemical compound with molecular formula C22H18N4O2S and molecular weight 402.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methoxyphenyl)-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone
Also Known As: BAS 02069880, 1-(4-methoxyphenyl)-2-[(4-phenyl-5-pyridin-3-yl-4H-1,2,4-triazol-3-yl)thio]ethanone, 1-(4-methoxyphenyl)-2-{[4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one, 1-(4-methoxyphenyl)-2-((4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)ethanone, 1-(4-methoxyphenyl)-2-(4-phenyl-5-(3-pyridyl)(1,2,4-triazol-3-ylthio))ethan-1- one
| Molecular Formula | C22H18N4O2S |
|---|---|
| Molecular Weight | 402.12 g/mol |
| LogP | 4.3129 |
| Topological Polar Surface Area | 69.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 402.11505 |
| Heavy Atoms | 29 |
| Complexity | 1096.8876 |
Chemical Identifiers
| CAS Number | 433702-48-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CN=CC=C4 |
Product Overview
BAS 02069880 (CAS 433702-48-8), with molecular formula C22H18N4O2S and molecular weight 402.12 g/mol. IUPAC: 1-(4-methoxyphenyl)-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone.
Chemical Property Profile of BAS 02069880
Property Insights of BAS 02069880
The XLogP value of 4.3129 indicates that BAS 02069880 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.9 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02069880. Following Lipinski's Rule of Five, BAS 02069880 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 02069880?
The CAS number of BAS 02069880 is 433702-48-8.
What is the molecular formula of BAS 02069880?
The molecular formula of BAS 02069880 is C22H18N4O2S.
What is the molecular weight of BAS 02069880?
The molecular weight of BAS 02069880 is 402.12 g/mol.
Where can I buy BAS 02069880?
You can request a quote for BAS 02069880 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02069880?
Yes, KEHONG BIO provides custom synthesis services for BAS 02069880 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.