AF-399/41502621
TL;DR: AF-399/41502621 (CAS 610752-90-4) is a chemical compound with molecular formula C25H20O6S and molecular weight 448.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-6-propylchromen-7-yl] thiophene-2-carboxylate
Also Known As: AF-399/41502621, 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-6-propyl-4H-chromen-7-yl 2-thiophenecarboxylate, F3139-0867, [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-6-propylchromen-7-yl] thiophene-2-carboxylate, 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-6-propyl-4H-chromen-7-yl thiophene-2-carboxylate
| Molecular Formula | C25H20O6S |
|---|---|
| Molecular Weight | 448.10 g/mol |
| LogP | 5.4644 |
| Topological Polar Surface Area | 74.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 448.09805 |
| Heavy Atoms | 32 |
| Complexity | 1353.1176 |
Chemical Identifiers
| CAS Number | 610752-90-4 |
|---|---|
| SMILES | CCCC1=CC2=C(C=C1OC(=O)C3=CC=CS3)OC=C(C2=O)C4=CC5=C(C=C4)OCCO5 |
Product Overview
AF-399/41502621 (CAS 610752-90-4), with molecular formula C25H20O6S and molecular weight 448.10 g/mol. IUPAC: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-6-propylchromen-7-yl] thiophene-2-carboxylate.
Chemical Property Profile of AF-399/41502621
Property Insights of AF-399/41502621
The XLogP value of 5.4644 indicates that AF-399/41502621 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.97 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/41502621. Following Lipinski's Rule of Five, AF-399/41502621 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AF-399/41502621?
The CAS number of AF-399/41502621 is 610752-90-4.
What is the molecular formula of AF-399/41502621?
The molecular formula of AF-399/41502621 is C25H20O6S.
What is the molecular weight of AF-399/41502621?
The molecular weight of AF-399/41502621 is 448.10 g/mol.
Where can I buy AF-399/41502621?
You can request a quote for AF-399/41502621 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/41502621?
Yes, KEHONG BIO provides custom synthesis services for AF-399/41502621 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.