BAS 02137987
TL;DR: BAS 02137987 (CAS 333313-40-9) is a chemical compound with molecular formula C24H21N3O3S and molecular weight 431.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methoxyphenyl)-2-[[5-(2-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone
Also Known As: BAS 02137987, 1-(4-methoxyphenyl)-2-{[5-(2-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone, 1-(4-methoxyphenyl)-2-((5-(2-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)ethanone, 1-(4-methoxyphenyl)-2-[5-(2-methoxyphenyl)-4-phenyl(1,2,4-triazol-3-ylthio)]et han-1-one, 1-(4-methoxyphenyl)-2-[[5-(2-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone
| Molecular Formula | C24H21N3O3S |
|---|---|
| Molecular Weight | 431.13 g/mol |
| LogP | 4.9265 |
| Topological Polar Surface Area | 66.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 431.13037 |
| Heavy Atoms | 31 |
| Complexity | 1174.416 |
Chemical Identifiers
| CAS Number | 333313-40-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4OC |
Product Overview
BAS 02137987 (CAS 333313-40-9), with molecular formula C24H21N3O3S and molecular weight 431.13 g/mol. IUPAC: 1-(4-methoxyphenyl)-2-[[5-(2-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone.
Chemical Property Profile of BAS 02137987
Property Insights of BAS 02137987
The XLogP value of 4.9265 indicates that BAS 02137987 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 02137987. Following Lipinski's Rule of Five, BAS 02137987 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 02137987?
The CAS number of BAS 02137987 is 333313-40-9.
What is the molecular formula of BAS 02137987?
The molecular formula of BAS 02137987 is C24H21N3O3S.
What is the molecular weight of BAS 02137987?
The molecular weight of BAS 02137987 is 431.13 g/mol.
Where can I buy BAS 02137987?
You can request a quote for BAS 02137987 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02137987?
Yes, KEHONG BIO provides custom synthesis services for BAS 02137987 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.