5-21-10-00186 (Beilstein Handbook Reference)
TL;DR: 5-21-10-00186 (Beilstein Handbook Reference) (CAS 5471-86-3) is a chemical compound with molecular formula C18H15NO3 and molecular weight 293.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-prop-2-ynoxyphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
Also Known As: 5-21-10-00186 (Beilstein Handbook Reference), 4,7-Methano-1H-isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-(4-(2-propynyloxy)phenyl)-, AF-409/11072005, 2-[4-(prop-2-yn-1-yloxy)phenyl]-3a,4,7,7a-tetrahydro-1h-4,7-methanoisoindole-1,3(2h)-dione, 3a,4,7,7a-Tetrahydro-2-(4-(2-propynyloxy)phenyl)-4,7-methano-1H-isoindole-1,3(2H)-dione
| Molecular Formula | C18H15NO3 |
|---|---|
| Molecular Weight | 293.11 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 293.1052 |
| Heavy Atoms | 22 |
| Complexity | 548.0 |
Chemical Identifiers
| CAS Number | 5471-86-3 |
|---|---|
| SMILES | C#CCOC1=CC=C(C=C1)N2C(=O)C3C4CC(C3C2=O)C=C4 |
| InChIKey | AYWSRQACJRZHIY-UHFFFAOYSA-N |
Product Overview
5-21-10-00186 (Beilstein Handbook Reference) (CAS 5471-86-3), with molecular formula C18H15NO3 and molecular weight 293.11 g/mol. IUPAC: 4-(4-prop-2-ynoxyphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.
Chemical Property Profile of 5-21-10-00186 (Beilstein Handbook Reference)
Property Insights of 5-21-10-00186 (Beilstein Handbook Reference)
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-21-10-00186 (Beilstein Handbook Reference). With a topological polar surface area (TPSA) of 46.6 Ų, 5-21-10-00186 (Beilstein Handbook Reference) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-21-10-00186 (Beilstein Handbook Reference) has 0 hydrogen bond donor(s) and 3 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 5-21-10-00186 (Beilstein Handbook Reference)?
The CAS number of 5-21-10-00186 (Beilstein Handbook Reference) is 5471-86-3.
What is the molecular formula of 5-21-10-00186 (Beilstein Handbook Reference)?
The molecular formula of 5-21-10-00186 (Beilstein Handbook Reference) is C18H15NO3.
What is the molecular weight of 5-21-10-00186 (Beilstein Handbook Reference)?
The molecular weight of 5-21-10-00186 (Beilstein Handbook Reference) is 293.11 g/mol.
Where can I buy 5-21-10-00186 (Beilstein Handbook Reference)?
You can request a quote for 5-21-10-00186 (Beilstein Handbook Reference) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-21-10-00186 (Beilstein Handbook Reference)?
Yes, KEHONG BIO provides custom synthesis services for 5-21-10-00186 (Beilstein Handbook Reference) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.