BAS 00513861
TL;DR: BAS 00513861 (CAS 461394-95-6) is a chemical compound with molecular formula C20H21ClN4S and molecular weight 384.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-chlorophenyl)-4-phenyl-2-(piperidin-1-ylmethyl)-1,2,4-triazole-3-thione
Also Known As: BAS 00513861, 5-(2-chlorophenyl)-4-phenyl-2-(piperidin-1-ylmethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione, 3-(2-chlorophenyl)-4-phenyl-1-(piperidin-1-ylmethyl)-1H-1,2,4-triazole-5(4H)-thione, 5-(2-chlorophenyl)-4-phenyl-2-(piperidin-1-ylmethyl)-1,2,4-triazole-3-thione
| Molecular Formula | C20H21ClN4S |
|---|---|
| Molecular Weight | 384.12 g/mol |
| LogP | 5.16709 |
| Topological Polar Surface Area | 25.99 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 384.11755 |
| Heavy Atoms | 26 |
| Complexity | 941.94507 |
Chemical Identifiers
| CAS Number | 461394-95-6 |
|---|---|
| SMILES | C1CCN(CC1)CN2C(=S)N(C(=N2)C3=CC=CC=C3Cl)C4=CC=CC=C4 |
Product Overview
BAS 00513861 (CAS 461394-95-6), with molecular formula C20H21ClN4S and molecular weight 384.12 g/mol. IUPAC: 5-(2-chlorophenyl)-4-phenyl-2-(piperidin-1-ylmethyl)-1,2,4-triazole-3-thione.
Chemical Property Profile of BAS 00513861
Property Insights of BAS 00513861
The XLogP value of 5.16709 indicates that BAS 00513861 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.99 Ų, BAS 00513861 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00513861 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00513861?
The CAS number of BAS 00513861 is 461394-95-6.
What is the molecular formula of BAS 00513861?
The molecular formula of BAS 00513861 is C20H21ClN4S.
What is the molecular weight of BAS 00513861?
The molecular weight of BAS 00513861 is 384.12 g/mol.
Where can I buy BAS 00513861?
You can request a quote for BAS 00513861 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00513861?
Yes, KEHONG BIO provides custom synthesis services for BAS 00513861 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.