AF-399/42217462
TL;DR: AF-399/42217462 (CAS 620588-85-4) is a chemical compound with molecular formula C23H19N3O6S and molecular weight 465.10 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-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
Also Known As: AF-399/42217462, 2-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione, 2-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(3,4,5-trimethoxyphenyl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione, 2-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(3,4,5-trimethoxyphenyl)-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione
| Molecular Formula | C23H19N3O6S |
|---|---|
| Molecular Weight | 465.10 g/mol |
| LogP | 3.72852 |
| Topological Polar Surface Area | 103.99 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 465.09946 |
| Heavy Atoms | 33 |
| Complexity | 1435.3518 |
Chemical Identifiers
| CAS Number | 620588-85-4 |
|---|---|
| SMILES | CC1=NN=C(S1)N2C(C3=C(C2=O)OC4=CC=CC=C4C3=O)C5=CC(=C(C(=C5)OC)OC)OC |
Product Overview
AF-399/42217462 (CAS 620588-85-4), with molecular formula C23H19N3O6S and molecular weight 465.10 g/mol. IUPAC: 2-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(3,4,5-trimethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
Chemical Property Profile of AF-399/42217462
Property Insights of AF-399/42217462
The XLogP value of 3.72852 indicates that AF-399/42217462 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.99 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/42217462. Following Lipinski's Rule of Five, AF-399/42217462 has 0 hydrogen bond donor(s) and 9 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-399/42217462?
The CAS number of AF-399/42217462 is 620588-85-4.
What is the molecular formula of AF-399/42217462?
The molecular formula of AF-399/42217462 is C23H19N3O6S.
What is the molecular weight of AF-399/42217462?
The molecular weight of AF-399/42217462 is 465.10 g/mol.
Where can I buy AF-399/42217462?
You can request a quote for AF-399/42217462 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/42217462?
Yes, KEHONG BIO provides custom synthesis services for AF-399/42217462 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.