BAS 01940018
TL;DR: BAS 01940018 (CAS 332872-74-9) is a chemical compound with molecular formula C23H20Cl2N4S and molecular weight 454.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-(4-chlorophenyl)-5-[(4-chlorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-4-methylaniline
Also Known As: BAS 01940018, N-((5-((4-Chlorobenzyl)thio)-4-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)methyl)-4-methylaniline, [5-(4-Chloro-benzylsulfanyl)-4-(4-chloro-phenyl)-4H-[1,2,4]triazol-3-ylmethyl]-p-tolyl-amine, N-[[4-(4-chlorophenyl)-5-[(4-chlorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-4-methylaniline
| Molecular Formula | C23H20Cl2N4S |
|---|---|
| Molecular Weight | 454.08 g/mol |
| LogP | 6.78692 |
| Topological Polar Surface Area | 42.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 454.07858 |
| Heavy Atoms | 30 |
| Complexity | 1040.6656 |
Chemical Identifiers
| CAS Number | 332872-74-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NCC2=NN=C(N2C3=CC=C(C=C3)Cl)SCC4=CC=C(C=C4)Cl |
Product Overview
BAS 01940018 (CAS 332872-74-9), with molecular formula C23H20Cl2N4S and molecular weight 454.08 g/mol. IUPAC: N-[[4-(4-chlorophenyl)-5-[(4-chlorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-4-methylaniline.
Chemical Property Profile of BAS 01940018
Property Insights of BAS 01940018
The XLogP value of 6.78692 indicates that BAS 01940018 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.74 Ų, BAS 01940018 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 01940018 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 01940018?
The CAS number of BAS 01940018 is 332872-74-9.
What is the molecular formula of BAS 01940018?
The molecular formula of BAS 01940018 is C23H20Cl2N4S.
What is the molecular weight of BAS 01940018?
The molecular weight of BAS 01940018 is 454.08 g/mol.
Where can I buy BAS 01940018?
You can request a quote for BAS 01940018 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01940018?
Yes, KEHONG BIO provides custom synthesis services for BAS 01940018 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.