AF-399/42217459
TL;DR: AF-399/42217459 (CAS 620588-82-1) is a chemical compound with molecular formula C21H15N3O5S and molecular weight 421.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-hydroxy-3-methoxyphenyl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
Also Known As: AF-399/42217459, 1-(4-hydroxy-3-methoxyphenyl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione, 1-(4-hydroxy-3-methoxyphenyl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione, 1-(4-hydroxy-3-methoxyphenyl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione
| Molecular Formula | C21H15N3O5S |
|---|---|
| Molecular Weight | 421.07 g/mol |
| LogP | 3.41692 |
| Topological Polar Surface Area | 105.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 421.07324 |
| Heavy Atoms | 30 |
| Complexity | 1376.8273 |
Chemical Identifiers
| CAS Number | 620588-82-1 |
|---|---|
| SMILES | CC1=NN=C(S1)N2C(C3=C(C2=O)OC4=CC=CC=C4C3=O)C5=CC(=C(C=C5)O)OC |
Product Overview
AF-399/42217459 (CAS 620588-82-1), with molecular formula C21H15N3O5S and molecular weight 421.07 g/mol. IUPAC: 1-(4-hydroxy-3-methoxyphenyl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.
Chemical Property Profile of AF-399/42217459
Property Insights of AF-399/42217459
The XLogP value of 3.41692 indicates that AF-399/42217459 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.76 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/42217459. Following Lipinski's Rule of Five, AF-399/42217459 has 1 hydrogen bond donor(s) and 8 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-399/42217459?
The CAS number of AF-399/42217459 is 620588-82-1.
What is the molecular formula of AF-399/42217459?
The molecular formula of AF-399/42217459 is C21H15N3O5S.
What is the molecular weight of AF-399/42217459?
The molecular weight of AF-399/42217459 is 421.07 g/mol.
Where can I buy AF-399/42217459?
You can request a quote for AF-399/42217459 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/42217459?
Yes, KEHONG BIO provides custom synthesis services for AF-399/42217459 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.