BAS 06591295
TL;DR: BAS 06591295 (CAS 496023-55-3) is a chemical compound with molecular formula C20H16N4O3S2 and molecular weight 424.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-yl)-2-[[5-(4-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]acetamide
Also Known As: BAS 06591295, J3.018.010K, N-(1,3-benzodioxol-5-yl)-2-{[5-(4-methylphenyl)[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl}acetamide, AF-399/41111023, N-(2H-1,3-benzodioxol-5-yl)-2-{[5-(4-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3]thiazol-3-yl]sulfanyl}acetamide
| Molecular Formula | C20H16N4O3S2 |
|---|---|
| Molecular Weight | 424.07 g/mol |
| LogP | 4.22572 |
| Topological Polar Surface Area | 77.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 424.06638 |
| Heavy Atoms | 29 |
| Complexity | 1200.3909 |
Chemical Identifiers
| CAS Number | 496023-55-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=CSC3=NN=C(N23)SCC(=O)NC4=CC5=C(C=C4)OCO5 |
Product Overview
BAS 06591295 (CAS 496023-55-3), with molecular formula C20H16N4O3S2 and molecular weight 424.07 g/mol. IUPAC: N-(1,3-benzodioxol-5-yl)-2-[[5-(4-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of BAS 06591295
Property Insights of BAS 06591295
The XLogP value of 4.22572 indicates that BAS 06591295 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.75 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 06591295. Following Lipinski's Rule of Five, BAS 06591295 has 1 hydrogen bond donor(s) and 7 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 06591295?
The CAS number of BAS 06591295 is 496023-55-3.
What is the molecular formula of BAS 06591295?
The molecular formula of BAS 06591295 is C20H16N4O3S2.
What is the molecular weight of BAS 06591295?
The molecular weight of BAS 06591295 is 424.07 g/mol.
Where can I buy BAS 06591295?
You can request a quote for BAS 06591295 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 06591295?
Yes, KEHONG BIO provides custom synthesis services for BAS 06591295 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.