AF-399/41668993
TL;DR: AF-399/41668993 (CAS 606947-37-9) is a chemical compound with molecular formula C19H15N3O4 and molecular weight 349.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1,3-benzodioxol-5-ylmethylamino)-2-(phenoxymethyl)-1,3-oxazole-4-carbonitrile
Also Known As: AF-399/41668993, 5-[(1,3-benzodioxol-5-ylmethyl)amino]-2-(phenoxymethyl)-1,3-oxazole-4-carbonitrile, 5-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-2-(phenoxymethyl)oxazole-4-carbonitrile, 5-(1,3-benzodioxol-5-ylmethylamino)-2-(phenoxymethyl)-1,3-oxazole-4-carbonitrile
| Molecular Formula | C19H15N3O4 |
|---|---|
| Molecular Weight | 349.11 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 89.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 349.10626 |
| Heavy Atoms | 26 |
| Complexity | 504.0 |
Chemical Identifiers
| CAS Number | 606947-37-9 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CNC3=C(N=C(O3)COC4=CC=CC=C4)C#N |
| InChIKey | FZPSDQKXGHCUBF-UHFFFAOYSA-N |
Product Overview
AF-399/41668993 (CAS 606947-37-9), with molecular formula C19H15N3O4 and molecular weight 349.11 g/mol. IUPAC: 5-(1,3-benzodioxol-5-ylmethylamino)-2-(phenoxymethyl)-1,3-oxazole-4-carbonitrile.
Chemical Property Profile of AF-399/41668993
Property Insights of AF-399/41668993
The XLogP value of 4.1 indicates that AF-399/41668993 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.5 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/41668993. Following Lipinski's Rule of Five, AF-399/41668993 has 1 hydrogen bond donor(s) and 7 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-399/41668993?
The CAS number of AF-399/41668993 is 606947-37-9.
What is the molecular formula of AF-399/41668993?
The molecular formula of AF-399/41668993 is C19H15N3O4.
What is the molecular weight of AF-399/41668993?
The molecular weight of AF-399/41668993 is 349.11 g/mol.
Where can I buy AF-399/41668993?
You can request a quote for AF-399/41668993 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/41668993?
Yes, KEHONG BIO provides custom synthesis services for AF-399/41668993 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.