BAS 00527690
TL;DR: BAS 00527690 (CAS 353253-32-4) is a chemical compound with molecular formula C21H24N4OS and molecular weight 380.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-methoxyphenyl)-4-phenyl-2-(piperidin-1-ylmethyl)-1,2,4-triazole-3-thione
Also Known As: BAS 00527690, BRD-K14750419-001-01-2, 5-(4-methoxyphenyl)-4-phenyl-2-(piperidin-1-ylmethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione, 3-(4-methoxyphenyl)-4-phenyl-1-(piperidin-1-ylmethyl)-1H-1,2,4-triazole-5(4H)-thione, 5-(4-methoxyphenyl)-2-[(piperidin-1-yl)methyl]-4-phenyl-2h-1,2,4-triazole-3(4h)-thione
| Molecular Formula | C21H24N4OS |
|---|---|
| Molecular Weight | 380.17 g/mol |
| LogP | 4.52229 |
| Topological Polar Surface Area | 35.22 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 380.16708 |
| Heavy Atoms | 27 |
| Complexity | 940.563 |
Chemical Identifiers
| CAS Number | 353253-32-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NN(C(=S)N2C3=CC=CC=C3)CN4CCCCC4 |
Product Overview
BAS 00527690 (CAS 353253-32-4), with molecular formula C21H24N4OS and molecular weight 380.17 g/mol. IUPAC: 5-(4-methoxyphenyl)-4-phenyl-2-(piperidin-1-ylmethyl)-1,2,4-triazole-3-thione.
Chemical Property Profile of BAS 00527690
Property Insights of BAS 00527690
The XLogP value of 4.52229 indicates that BAS 00527690 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.22 Ų, BAS 00527690 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00527690 has 0 hydrogen bond donor(s) and 4 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 00527690?
The CAS number of BAS 00527690 is 353253-32-4.
What is the molecular formula of BAS 00527690?
The molecular formula of BAS 00527690 is C21H24N4OS.
What is the molecular weight of BAS 00527690?
The molecular weight of BAS 00527690 is 380.17 g/mol.
Where can I buy BAS 00527690?
You can request a quote for BAS 00527690 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00527690?
Yes, KEHONG BIO provides custom synthesis services for BAS 00527690 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.