A2167/0091013
TL;DR: A2167/0091013 (CAS 56733-99-4) is a chemical compound with molecular formula C26H22N4OS and molecular weight 438.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7E)-7-[[4-(dimethylamino)phenyl]methylidene]-3,4-diphenyl-4H-[1,3]thiazolo[2,3-c][1,2,4]triazin-6-one
Also Known As: A2167/0091013, (E)-7-(4-(dimethylamino)benzylidene)-3,4-diphenyl-4H-thiazolo[2,3-c][1,2,4]triazin-6(7H)-one, (7E)-7-[(4-dimethylaminophenyl)methylidene]-3,4-diphenyl-4H-[1,3]thiazolo[2,3-c][1,2,4]triazin-6-one, (7E)-7-[4-(dimethylamino)benzylidene]-3,4-diphenyl-4H-[1,3]thiazolo[2,3-c][1,2,4]triazin-6(7H)-one
| Molecular Formula | C26H22N4OS |
|---|---|
| Molecular Weight | 438.15 g/mol |
| LogP | 3.4315 |
| Topological Polar Surface Area | 49.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 438.15143 |
| Heavy Atoms | 32 |
| Complexity | 1450.5033 |
Chemical Identifiers
| CAS Number | 56733-99-4 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)/C=C/2\C(=O)N3C(C(=NN=C3S2)C4=CC=CC=C4)C5=CC=CC=C5 |
Product Overview
A2167/0091013 (CAS 56733-99-4), with molecular formula C26H22N4OS and molecular weight 438.15 g/mol. IUPAC: (7E)-7-[[4-(dimethylamino)phenyl]methylidene]-3,4-diphenyl-4H-[1,3]thiazolo[2,3-c][1,2,4]triazin-6-one.
Chemical Property Profile of A2167/0091013
Property Insights of A2167/0091013
The XLogP value of 3.4315 indicates that A2167/0091013 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.96 Ų, A2167/0091013 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A2167/0091013 has 0 hydrogen bond donor(s) and 5 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 A2167/0091013?
The CAS number of A2167/0091013 is 56733-99-4.
What is the molecular formula of A2167/0091013?
The molecular formula of A2167/0091013 is C26H22N4OS.
What is the molecular weight of A2167/0091013?
The molecular weight of A2167/0091013 is 438.15 g/mol.
Where can I buy A2167/0091013?
You can request a quote for A2167/0091013 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2167/0091013?
Yes, KEHONG BIO provides custom synthesis services for A2167/0091013 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.