BAS 05384200
TL;DR: BAS 05384200 (CAS 488122-81-2) is a chemical compound with molecular formula C21H20N4OS2 and molecular weight 408.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(7-ethyl-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]-1-phenylethanone
Also Known As: BAS 05384200, 2-((5-ethyl-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)-1-phenylethanone, 2-[(5-ethyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]-1-phenylethanone
| Molecular Formula | C21H20N4OS2 |
|---|---|
| Molecular Weight | 408.11 g/mol |
| LogP | 4.7552 |
| Topological Polar Surface Area | 60.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 408.10785 |
| Heavy Atoms | 28 |
| Complexity | 1179.7777 |
Chemical Identifiers
| CAS Number | 488122-81-2 |
|---|---|
| SMILES | CCC1=NC2=C(C3=C(S2)CCCC3)C4=NN=C(N14)SCC(=O)C5=CC=CC=C5 |
Product Overview
BAS 05384200 (CAS 488122-81-2), with molecular formula C21H20N4OS2 and molecular weight 408.11 g/mol. IUPAC: 2-[(7-ethyl-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]-1-phenylethanone.
Chemical Property Profile of BAS 05384200
Property Insights of BAS 05384200
The XLogP value of 4.7552 indicates that BAS 05384200 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.15 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 05384200. Following Lipinski's Rule of Five, BAS 05384200 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 05384200?
The CAS number of BAS 05384200 is 488122-81-2.
What is the molecular formula of BAS 05384200?
The molecular formula of BAS 05384200 is C21H20N4OS2.
What is the molecular weight of BAS 05384200?
The molecular weight of BAS 05384200 is 408.11 g/mol.
Where can I buy BAS 05384200?
You can request a quote for BAS 05384200 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 05384200?
Yes, KEHONG BIO provides custom synthesis services for BAS 05384200 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.