AF-399/37418020
TL;DR: AF-399/37418020 (CAS 307535-03-1) is a chemical compound with molecular formula C25H26F3NO5 and molecular weight 477.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(azepan-1-ylmethyl)-3-(3,4-dimethoxyphenyl)-7-hydroxy-2-(trifluoromethyl)chromen-4-one
Also Known As: AF-399/37418020, 8-(1-azepanylmethyl)-3-(3,4-dimethoxyphenyl)-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one, 8-(azepan-1-ylmethyl)-3-(3,4-dimethoxyphenyl)-7-hydroxy-2-(trifluoromethyl)chromen-4-one, 8-(azepan-1-ylmethyl)-3-(3,4-dimethoxyphenyl)-7-hydroxy-2-(trifluoromethyl)-4H-chromen-4-one, 8-[(AZEPAN-1-YL)METHYL]-3-(3,4-DIMETHOXYPHENYL)-7-HYDROXY-2-(TRIFLUOROMETHYL)-4H-CHROMEN-4-ONE
| Molecular Formula | C25H26F3NO5 |
|---|---|
| Molecular Weight | 477.18 g/mol |
| LogP | 5.5776 |
| Topological Polar Surface Area | 72.14 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 477.1763 |
| Heavy Atoms | 34 |
| Complexity | 1244.0004 |
Chemical Identifiers
| CAS Number | 307535-03-1 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=C(OC3=C(C2=O)C=CC(=C3CN4CCCCCC4)O)C(F)(F)F)OC |
Product Overview
AF-399/37418020 (CAS 307535-03-1), with molecular formula C25H26F3NO5 and molecular weight 477.18 g/mol. IUPAC: 8-(azepan-1-ylmethyl)-3-(3,4-dimethoxyphenyl)-7-hydroxy-2-(trifluoromethyl)chromen-4-one.
Chemical Property Profile of AF-399/37418020
Property Insights of AF-399/37418020
The XLogP value of 5.5776 indicates that AF-399/37418020 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.14 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/37418020. Following Lipinski's Rule of Five, AF-399/37418020 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AF-399/37418020?
The CAS number of AF-399/37418020 is 307535-03-1.
What is the molecular formula of AF-399/37418020?
The molecular formula of AF-399/37418020 is C25H26F3NO5.
What is the molecular weight of AF-399/37418020?
The molecular weight of AF-399/37418020 is 477.18 g/mol.
Where can I buy AF-399/37418020?
You can request a quote for AF-399/37418020 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/37418020?
Yes, KEHONG BIO provides custom synthesis services for AF-399/37418020 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.