BAS 01580050
TL;DR: BAS 01580050 (CAS 332393-39-2) 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.
7-(4-methylphenyl)-3-prop-2-enylsulfanyl-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-8-one
Also Known As: BAS 01580050, 1-(allylthio)-4-(p-tolyl)-6,7,8,9-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one, 4-(4-methylphenyl)-1-(prop-2-en-1-ylsulfanyl)-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one, 4-(4-methylphenyl)-1-prop-2-enylthio-4,6,7,8,9,11-hexahydrobenzo[b]thiopheno[3 ,2-e]1,2,4-triazolo[4,3-a]pyrimidin-5-one
| Molecular Formula | C21H20N4OS2 |
|---|---|
| Molecular Weight | 408.11 g/mol |
| LogP | 4.56022 |
| Topological Polar Surface Area | 52.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 408.10785 |
| Heavy Atoms | 28 |
| Complexity | 1264.0216 |
Chemical Identifiers
| CAS Number | 332393-39-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)C3=C(N4C2=NN=C4SCC=C)SC5=C3CCCC5 |
Product Overview
BAS 01580050 (CAS 332393-39-2), with molecular formula C21H20N4OS2 and molecular weight 408.11 g/mol. IUPAC: 7-(4-methylphenyl)-3-prop-2-enylsulfanyl-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-8-one.
Chemical Property Profile of BAS 01580050
Property Insights of BAS 01580050
The XLogP value of 4.56022 indicates that BAS 01580050 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.19 Ų, BAS 01580050 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 01580050 has 0 hydrogen bond donor(s) and 5 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 01580050?
The CAS number of BAS 01580050 is 332393-39-2.
What is the molecular formula of BAS 01580050?
The molecular formula of BAS 01580050 is C21H20N4OS2.
What is the molecular weight of BAS 01580050?
The molecular weight of BAS 01580050 is 408.11 g/mol.
Where can I buy BAS 01580050?
You can request a quote for BAS 01580050 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01580050?
Yes, KEHONG BIO provides custom synthesis services for BAS 01580050 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.