A2876/0121233
TL;DR: A2876/0121233 (CAS 428464-57-7) is a chemical compound with molecular formula C21H14ClF3N4O3S and molecular weight 494.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6Z)-6-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methylidene]-5-imino-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: A2876/0121233, (6Z)-6-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methylidene]-5-imino-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, (6Z)-6-[4-(benzyloxy)-3-chloro-5-methoxybenzylidene]-5-imino-2-(trifluoromethyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
| Molecular Formula | C21H14ClF3N4O3S |
|---|---|
| Molecular Weight | 494.04 g/mol |
| LogP | 5.10907 |
| Topological Polar Surface Area | 87.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 494.04272 |
| Heavy Atoms | 33 |
| Complexity | 1229.251 |
Chemical Identifiers
| CAS Number | 428464-57-7 |
|---|---|
| SMILES | COC1=C(C(=CC(=C1)/C=C\2/C(=N)N3C(=NC2=O)SC(=N3)C(F)(F)F)Cl)OCC4=CC=CC=C4 |
Product Overview
A2876/0121233 (CAS 428464-57-7), with molecular formula C21H14ClF3N4O3S and molecular weight 494.04 g/mol. IUPAC: (6Z)-6-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methylidene]-5-imino-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
Chemical Property Profile of A2876/0121233
Property Insights of A2876/0121233
The XLogP value of 5.10907 indicates that A2876/0121233 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.34 Ų falls within the moderate polarity range, balancing permeability and solubility for A2876/0121233. Following Lipinski's Rule of Five, A2876/0121233 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A2876/0121233?
The CAS number of A2876/0121233 is 428464-57-7.
What is the molecular formula of A2876/0121233?
The molecular formula of A2876/0121233 is C21H14ClF3N4O3S.
What is the molecular weight of A2876/0121233?
The molecular weight of A2876/0121233 is 494.04 g/mol.
Where can I buy A2876/0121233?
You can request a quote for A2876/0121233 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2876/0121233?
Yes, KEHONG BIO provides custom synthesis services for A2876/0121233 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.