BAS 01890499
TL;DR: BAS 01890499 (CAS 444157-99-7) is a chemical compound with molecular formula C22H18Cl2N4S and molecular weight 440.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-[[5-[(4-chlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]aniline
Also Known As: BAS 01890499, 4-Chloro-N-((5-((4-chlorobenzyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)aniline, [5-(4-Chloro-benzylsulfanyl)-4-phenyl-4H-[1,2,4]triazol-3-ylmethyl]-(4-chloro-phenyl)-amine, 4-chloro-N-[[5-[(4-chlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]aniline
| Molecular Formula | C22H18Cl2N4S |
|---|---|
| Molecular Weight | 440.06 g/mol |
| LogP | 6.4785 |
| Topological Polar Surface Area | 42.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 440.06293 |
| Heavy Atoms | 29 |
| Complexity | 997.4348 |
Chemical Identifiers
| CAS Number | 444157-99-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)Cl)CNC4=CC=C(C=C4)Cl |
Product Overview
BAS 01890499 (CAS 444157-99-7), with molecular formula C22H18Cl2N4S and molecular weight 440.06 g/mol. IUPAC: 4-chloro-N-[[5-[(4-chlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]aniline.
Chemical Property Profile of BAS 01890499
Property Insights of BAS 01890499
The XLogP value of 6.4785 indicates that BAS 01890499 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 01890499 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 01890499 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 01890499?
The CAS number of BAS 01890499 is 444157-99-7.
What is the molecular formula of BAS 01890499?
The molecular formula of BAS 01890499 is C22H18Cl2N4S.
What is the molecular weight of BAS 01890499?
The molecular weight of BAS 01890499 is 440.06 g/mol.
Where can I buy BAS 01890499?
You can request a quote for BAS 01890499 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01890499?
Yes, KEHONG BIO provides custom synthesis services for BAS 01890499 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.