BAS 05260685
TL;DR: BAS 05260685 (CAS 500280-10-4) is a chemical compound with molecular formula C21H21N5OS2 and molecular weight 423.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-methylphenyl)-2-[(7-methyl-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-5-yl)sulfanyl]acetamide
Also Known As: BAS 05260685, 2-((5-methyl-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-N-(o-tolyl)acetamide, N-(2-methylphenyl)-2-[(5-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]acetamide
| Molecular Formula | C21H21N5OS2 |
|---|---|
| Molecular Weight | 423.12 g/mol |
| LogP | 4.56544 |
| Topological Polar Surface Area | 72.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 423.11874 |
| Heavy Atoms | 29 |
| Complexity | 1243.0591 |
Chemical Identifiers
| CAS Number | 500280-10-4 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=O)CSC2=NN=C3N2C(=NC4=C3C5=C(S4)CCCC5)C |
Product Overview
BAS 05260685 (CAS 500280-10-4), with molecular formula C21H21N5OS2 and molecular weight 423.12 g/mol. IUPAC: N-(2-methylphenyl)-2-[(7-methyl-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-5-yl)sulfanyl]acetamide.
Chemical Property Profile of BAS 05260685
Property Insights of BAS 05260685
The XLogP value of 4.56544 indicates that BAS 05260685 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.18 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 05260685. Following Lipinski's Rule of Five, BAS 05260685 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 05260685?
The CAS number of BAS 05260685 is 500280-10-4.
What is the molecular formula of BAS 05260685?
The molecular formula of BAS 05260685 is C21H21N5OS2.
What is the molecular weight of BAS 05260685?
The molecular weight of BAS 05260685 is 423.12 g/mol.
Where can I buy BAS 05260685?
You can request a quote for BAS 05260685 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 05260685?
Yes, KEHONG BIO provides custom synthesis services for BAS 05260685 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.