AF-399/42217376
TL;DR: AF-399/42217376 (CAS 620589-09-5) is a chemical compound with molecular formula C23H17N3O4S and molecular weight 431.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
Also Known As: AF-399/42217376, 2-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione, 1-[3-(allyloxy)phenyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione, 2-(5-methyl-1,3,4-thiadiazol-2-yl)-1-[3-(prop-2-en-1-yloxy)phenyl]-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione, 2-(5-methyl-1,3,4-thiadiazol-2-yl)-1-[3-(prop-2-en-1-yloxy)phenyl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione
| Molecular Formula | C23H17N3O4S |
|---|---|
| Molecular Weight | 431.09 g/mol |
| LogP | 4.26752 |
| Topological Polar Surface Area | 85.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 431.09396 |
| Heavy Atoms | 31 |
| Complexity | 1391.1031 |
Chemical Identifiers
| CAS Number | 620589-09-5 |
|---|---|
| SMILES | CC1=NN=C(S1)N2C(C3=C(C2=O)OC4=CC=CC=C4C3=O)C5=CC(=CC=C5)OCC=C |
Product Overview
AF-399/42217376 (CAS 620589-09-5), with molecular formula C23H17N3O4S and molecular weight 431.09 g/mol. IUPAC: 2-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
Chemical Property Profile of AF-399/42217376
Property Insights of AF-399/42217376
The XLogP value of 4.26752 indicates that AF-399/42217376 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.53 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/42217376. Following Lipinski's Rule of Five, AF-399/42217376 has 0 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-399/42217376?
The CAS number of AF-399/42217376 is 620589-09-5.
What is the molecular formula of AF-399/42217376?
The molecular formula of AF-399/42217376 is C23H17N3O4S.
What is the molecular weight of AF-399/42217376?
The molecular weight of AF-399/42217376 is 431.09 g/mol.
Where can I buy AF-399/42217376?
You can request a quote for AF-399/42217376 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/42217376?
Yes, KEHONG BIO provides custom synthesis services for AF-399/42217376 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.