AP-906/41928199
TL;DR: AP-906/41928199 (CAS 501110-36-7) is a chemical compound with molecular formula C20H18F3N3O4 and molecular weight 421.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-oxo-N-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide
Also Known As: AP-906/41928199, 6-Oxo-N-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide, 8-oxo-N-(2-(trifluoromethyl)benzo[d][1,3]dioxol-2-yl)-4,5,6,8-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(2H)-carboxamide, 6-oxo-N-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-diene-11-carboxamide
| Molecular Formula | C20H18F3N3O4 |
|---|---|
| Molecular Weight | 421.12 g/mol |
| LogP | 2.6645 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 421.12494 |
| Heavy Atoms | 30 |
| Complexity | 1042.7476 |
Chemical Identifiers
| CAS Number | 501110-36-7 |
|---|---|
| SMILES | C1C2CN(CC1C3=CC=CC(=O)N3C2)C(=O)NC4(OC5=CC=CC=C5O4)C(F)(F)F |
Product Overview
AP-906/41928199 (CAS 501110-36-7), with molecular formula C20H18F3N3O4 and molecular weight 421.12 g/mol. IUPAC: 6-oxo-N-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide.
Chemical Property Profile of AP-906/41928199
Property Insights of AP-906/41928199
The XLogP value of 2.6645 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AP-906/41928199. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for AP-906/41928199. Following Lipinski's Rule of Five, AP-906/41928199 has 1 hydrogen bond donor(s) and 4 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 AP-906/41928199?
The CAS number of AP-906/41928199 is 501110-36-7.
What is the molecular formula of AP-906/41928199?
The molecular formula of AP-906/41928199 is C20H18F3N3O4.
What is the molecular weight of AP-906/41928199?
The molecular weight of AP-906/41928199 is 421.12 g/mol.
Where can I buy AP-906/41928199?
You can request a quote for AP-906/41928199 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AP-906/41928199?
Yes, KEHONG BIO provides custom synthesis services for AP-906/41928199 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.