BAS 00513855
TL;DR: BAS 00513855 (CAS 348593-31-7) is a chemical compound with molecular formula C23H28N4OS and molecular weight 408.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-tert-butylphenyl)-2-(morpholin-4-ylmethyl)-4-phenyl-1,2,4-triazole-3-thione
Also Known As: BAS 00513855, 5-(4-tert-butylphenyl)-2-(morpholin-4-ylmethyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione, 3-(4-(tert-butyl)phenyl)-1-(morpholinomethyl)-4-phenyl-1H-1,2,4-triazole-5(4H)-thione, 5-(4-tert-butylphenyl)-2-(morpholin-4-ylmethyl)-4-phenyl-1,2,4-triazole-3-thione, 5-(4-tert-butylphenyl)-2-(4-morpholinylmethyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C23H28N4OS |
|---|---|
| Molecular Weight | 408.20 g/mol |
| LogP | 4.65749 |
| Topological Polar Surface Area | 35.22 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 408.1984 |
| Heavy Atoms | 29 |
| Complexity | 1009.77167 |
Chemical Identifiers
| CAS Number | 348593-31-7 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C2=NN(C(=S)N2C3=CC=CC=C3)CN4CCOCC4 |
Product Overview
BAS 00513855 (CAS 348593-31-7), with molecular formula C23H28N4OS and molecular weight 408.20 g/mol. IUPAC: 5-(4-tert-butylphenyl)-2-(morpholin-4-ylmethyl)-4-phenyl-1,2,4-triazole-3-thione.
Chemical Property Profile of BAS 00513855
Property Insights of BAS 00513855
The XLogP value of 4.65749 indicates that BAS 00513855 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 00513855 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00513855 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 00513855?
The CAS number of BAS 00513855 is 348593-31-7.
What is the molecular formula of BAS 00513855?
The molecular formula of BAS 00513855 is C23H28N4OS.
What is the molecular weight of BAS 00513855?
The molecular weight of BAS 00513855 is 408.20 g/mol.
Where can I buy BAS 00513855?
You can request a quote for BAS 00513855 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00513855?
Yes, KEHONG BIO provides custom synthesis services for BAS 00513855 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.