BAS 05289401
TL;DR: BAS 05289401 (CAS 488128-67-2) is a chemical compound with molecular formula C20H18N4O3S and molecular weight 394.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-ethoxyphenyl)-3-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrrolidine-2,5-dione
Also Known As: BAS 05289401, 1-(4-ethoxyphenyl)-3-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-2,5-pyrrolidinedione, AJ-292/41686369, 1-(4-ethoxyphenyl)-3-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrrolidine-2,5-dione, 1-(4-ethoxyphenyl)-3-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]pyrrolidine-2,5-dione
| Molecular Formula | C20H18N4O3S |
|---|---|
| Molecular Weight | 394.11 g/mol |
| LogP | 3.2946 |
| Topological Polar Surface Area | 88.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 394.10995 |
| Heavy Atoms | 28 |
| Complexity | 988.20013 |
Chemical Identifiers
| CAS Number | 488128-67-2 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)SC3=NNC(=N3)C4=CC=CC=C4 |
Product Overview
BAS 05289401 (CAS 488128-67-2), with molecular formula C20H18N4O3S and molecular weight 394.11 g/mol. IUPAC: 1-(4-ethoxyphenyl)-3-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrrolidine-2,5-dione.
Chemical Property Profile of BAS 05289401
Property Insights of BAS 05289401
The XLogP value of 3.2946 indicates that BAS 05289401 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.18 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 05289401. Following Lipinski's Rule of Five, BAS 05289401 has 1 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 05289401?
The CAS number of BAS 05289401 is 488128-67-2.
What is the molecular formula of BAS 05289401?
The molecular formula of BAS 05289401 is C20H18N4O3S.
What is the molecular weight of BAS 05289401?
The molecular weight of BAS 05289401 is 394.11 g/mol.
Where can I buy BAS 05289401?
You can request a quote for BAS 05289401 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 05289401?
Yes, KEHONG BIO provides custom synthesis services for BAS 05289401 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.