12N-723
TL;DR: 12N-723 (CAS 477860-57-4) is a chemical compound with molecular formula C23H19Cl2FN4O2S and molecular weight 504.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(2-chloro-6-fluorophenyl)-2-[2-[(3-chlorophenyl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]propanoate
Also Known As: 12N-723, ethyl 2-{2-[(3-chlorobenzyl)sulfanyl][1,2,4]triazolo[1,5-a]pyrimidin-7-yl}-3-(2-chloro-6-fluorophenyl)propanoate, ethyl 3-(2-chloro-6-fluorophenyl)-2-(2-{[(3-chlorophenyl)methyl]sulfanyl}-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)propanoate, ethyl 3-(2-chloro-6-fluorophenyl)-2-[2-[(3-chlorophenyl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]propanoate, ethyl3-(2-chloro-6-fluorophenyl)-2-(2-{[(3-chlorophenyl)methyl]sulfanyl}-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)propanoate
| Molecular Formula | C23H19Cl2FN4O2S |
|---|---|
| Molecular Weight | 504.06 g/mol |
| LogP | 5.7519 |
| Topological Polar Surface Area | 69.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 504.059 |
| Heavy Atoms | 33 |
| Complexity | 1280.443 |
Chemical Identifiers
| CAS Number | 477860-57-4 |
|---|---|
| SMILES | CCOC(=O)C(CC1=C(C=CC=C1Cl)F)C2=CC=NC3=NC(=NN23)SCC4=CC(=CC=C4)Cl |
Product Overview
12N-723 (CAS 477860-57-4), with molecular formula C23H19Cl2FN4O2S and molecular weight 504.06 g/mol. IUPAC: ethyl 3-(2-chloro-6-fluorophenyl)-2-[2-[(3-chlorophenyl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]propanoate.
Chemical Property Profile of 12N-723
Property Insights of 12N-723
The XLogP value of 5.7519 indicates that 12N-723 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.38 Ų falls within the moderate polarity range, balancing permeability and solubility for 12N-723. Following Lipinski's Rule of Five, 12N-723 has 0 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 12N-723?
The CAS number of 12N-723 is 477860-57-4.
What is the molecular formula of 12N-723?
The molecular formula of 12N-723 is C23H19Cl2FN4O2S.
What is the molecular weight of 12N-723?
The molecular weight of 12N-723 is 504.06 g/mol.
Where can I buy 12N-723?
You can request a quote for 12N-723 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12N-723?
Yes, KEHONG BIO provides custom synthesis services for 12N-723 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.