AF-399/41499863
TL;DR: AF-399/41499863 (CAS 610759-63-2) is a chemical compound with molecular formula C29H34N2O8 and molecular weight 538.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-4-oxochromene-2-carboxylate
Also Known As: AF-399/41499863, ethyl 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-4-oxochromene-2-carboxylate, ethyl 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-7-hydroxy-8-{[4-(2-hydroxyethyl)-1-piperazinyl]methyl}-4-oxo-4H-chromene-2-carboxylate, ethyl 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-7-hydroxy-8-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-4-oxo-4H-chromene-2-carboxylate, ethyl 3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-6-ethyl-7-hydroxy-8-((4-(2-hydroxyethyl)piperazin-1-yl)methyl)-4-oxo-4H-chromene-2-carboxylate
| Molecular Formula | C29H34N2O8 |
|---|---|
| Molecular Weight | 538.23 g/mol |
| LogP | 2.7858 |
| Topological Polar Surface Area | 121.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 538.2315 |
| Heavy Atoms | 39 |
| Complexity | 1425.2804 |
Chemical Identifiers
| CAS Number | 610759-63-2 |
|---|---|
| SMILES | CCC1=CC2=C(C(=C1O)CN3CCN(CC3)CCO)OC(=C(C2=O)C4=CC5=C(C=C4)OCCO5)C(=O)OCC |
Product Overview
AF-399/41499863 (CAS 610759-63-2), with molecular formula C29H34N2O8 and molecular weight 538.23 g/mol. IUPAC: ethyl 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-4-oxochromene-2-carboxylate.
Chemical Property Profile of AF-399/41499863
Property Insights of AF-399/41499863
The XLogP value of 2.7858 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AF-399/41499863. The TPSA of 121.91 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/41499863. Following Lipinski's Rule of Five, AF-399/41499863 has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AF-399/41499863?
The CAS number of AF-399/41499863 is 610759-63-2.
What is the molecular formula of AF-399/41499863?
The molecular formula of AF-399/41499863 is C29H34N2O8.
What is the molecular weight of AF-399/41499863?
The molecular weight of AF-399/41499863 is 538.23 g/mol.
Where can I buy AF-399/41499863?
You can request a quote for AF-399/41499863 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/41499863?
Yes, KEHONG BIO provides custom synthesis services for AF-399/41499863 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.