AF-399/41623119
TL;DR: AF-399/41623119 (CAS 606963-03-5) is a chemical compound with molecular formula C23H18N4O5S and molecular weight 462.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3Z)-2-oxo-3-[6-oxo-2-(4-propoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene]indol-1-yl]acetic acid
Also Known As: AF-399/41623119, {(3Z)-2-oxo-3-[6-oxo-2-(4-propoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]-2,3-dihydro-1H-indol-1-yl}acetic acid, (Z)-2-(2-oxo-3-(6-oxo-2-(4-propoxyphenyl)thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene)indolin-1-yl)acetic acid, [(3Z)-2-oxo-3-(6-oxo-2-(4-propoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene)-2,3-dihydro-1H-indol-1-yl]acetic acid, [2-oxo-3-(6-oxo-2-(4-propoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene)-2,3-dihydro-1H-indol-1-yl]acetic acid
| Molecular Formula | C23H18N4O5S |
|---|---|
| Molecular Weight | 462.10 g/mol |
| LogP | 1.9559 |
| Topological Polar Surface Area | 114.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 462.0998 |
| Heavy Atoms | 33 |
| Complexity | 1506.1278 |
Chemical Identifiers
| CAS Number | 606963-03-5 |
|---|---|
| SMILES | CCCOC1=CC=C(C=C1)C2=NN3C(=O)/C(=C/4\C5=CC=CC=C5N(C4=O)CC(=O)O)/SC3=N2 |
Product Overview
AF-399/41623119 (CAS 606963-03-5), with molecular formula C23H18N4O5S and molecular weight 462.10 g/mol. IUPAC: 2-[(3Z)-2-oxo-3-[6-oxo-2-(4-propoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene]indol-1-yl]acetic acid.
Chemical Property Profile of AF-399/41623119
Property Insights of AF-399/41623119
The XLogP value of 1.9559 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AF-399/41623119. The TPSA of 114.1 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/41623119. Following Lipinski's Rule of Five, AF-399/41623119 has 1 hydrogen bond donor(s) and 7 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 AF-399/41623119?
The CAS number of AF-399/41623119 is 606963-03-5.
What is the molecular formula of AF-399/41623119?
The molecular formula of AF-399/41623119 is C23H18N4O5S.
What is the molecular weight of AF-399/41623119?
The molecular weight of AF-399/41623119 is 462.10 g/mol.
Where can I buy AF-399/41623119?
You can request a quote for AF-399/41623119 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/41623119?
Yes, KEHONG BIO provides custom synthesis services for AF-399/41623119 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.