BAS 02223443
TL;DR: BAS 02223443 (CAS 482654-49-9) is a chemical compound with molecular formula C21H23N3O3S and molecular weight 397.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-[[4-(4-methylphenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: BAS 02223443, propan-2-yl {[4-(4-methylphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate, isopropyl {[4-(4-methylphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate, isopropyl 2-((5-(phenoxymethyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetate, methylethyl 2-[4-(4-methylphenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-ylthio]ace tate
| Molecular Formula | C21H23N3O3S |
|---|---|
| Molecular Weight | 397.15 g/mol |
| LogP | 4.19842 |
| Topological Polar Surface Area | 66.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 397.14603 |
| Heavy Atoms | 28 |
| Complexity | 908.4051 |
Chemical Identifiers
| CAS Number | 482654-49-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)OC(C)C)COC3=CC=CC=C3 |
Product Overview
BAS 02223443 (CAS 482654-49-9), with molecular formula C21H23N3O3S and molecular weight 397.15 g/mol. IUPAC: propan-2-yl 2-[[4-(4-methylphenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate.
Chemical Property Profile of BAS 02223443
Property Insights of BAS 02223443
The XLogP value of 4.19842 indicates that BAS 02223443 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.24 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02223443. Following Lipinski's Rule of Five, BAS 02223443 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 02223443?
The CAS number of BAS 02223443 is 482654-49-9.
What is the molecular formula of BAS 02223443?
The molecular formula of BAS 02223443 is C21H23N3O3S.
What is the molecular weight of BAS 02223443?
The molecular weight of BAS 02223443 is 397.15 g/mol.
Where can I buy BAS 02223443?
You can request a quote for BAS 02223443 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02223443?
Yes, KEHONG BIO provides custom synthesis services for BAS 02223443 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.