BAS 05290771
TL;DR: BAS 05290771 (CAS 433704-41-7) is a chemical compound with molecular formula C19H18N6OS3 and molecular weight 442.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(pyridin-3-ylmethyl)acetamide
Also Known As: BAS 05290771, BRD-K51307383-001-07-4, 2-[5-(benzothiazol-2-ylthiomethyl)-4-methyl(1,2,4-triazol-3-ylthio)]-N-(3-pyri dylmethyl)acetamide, 2-((5-((benzo[d]thiazol-2-ylthio)methyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-(pyridin-3-ylmethyl)acetamide, 2-({5-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(pyridin-3-ylmethyl)acetamide
| Molecular Formula | C19H18N6OS3 |
|---|---|
| Molecular Weight | 442.07 g/mol |
| LogP | 3.5206 |
| Topological Polar Surface Area | 85.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 442.07043 |
| Heavy Atoms | 29 |
| Complexity | 1078.5504 |
Chemical Identifiers
| CAS Number | 433704-41-7 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NCC2=CN=CC=C2)CSC3=NC4=CC=CC=C4S3 |
Product Overview
BAS 05290771 (CAS 433704-41-7), with molecular formula C19H18N6OS3 and molecular weight 442.07 g/mol. IUPAC: 2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(pyridin-3-ylmethyl)acetamide.
Chemical Property Profile of BAS 05290771
Property Insights of BAS 05290771
The XLogP value of 3.5206 indicates that BAS 05290771 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.59 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 05290771. Following Lipinski's Rule of Five, BAS 05290771 has 1 hydrogen bond donor(s) and 8 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 05290771?
The CAS number of BAS 05290771 is 433704-41-7.
What is the molecular formula of BAS 05290771?
The molecular formula of BAS 05290771 is C19H18N6OS3.
What is the molecular weight of BAS 05290771?
The molecular weight of BAS 05290771 is 442.07 g/mol.
Where can I buy BAS 05290771?
You can request a quote for BAS 05290771 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 05290771?
Yes, KEHONG BIO provides custom synthesis services for BAS 05290771 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.