RefChem:286129
TL;DR: RefChem:286129 (CAS 54716-02-8) is a chemical compound with molecular formula C18H17NO4 and molecular weight 311.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-(2-oxopropoxy)phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
Also Known As: 5-21-10-00186 (Beilstein Handbook Reference), 3a,4,7,7a-Tetrahydro-2-(4-(2-oxopropoxy)phenyl)-4,7-methano-1H-isoindole-1,3(2H)-dione, 4,7-Methano-1H-isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-(4-(2-oxopropoxy)phenyl)-, N-(4-Acetonyloksyfenylo)-imid kwasu cis-3,6-endometyleno-1,2,3,6-tetrahydroftalowego [Polish], 2-[4-(2-oxopropoxy)phenyl]-3a,4,7,7a-tetrahydro-1h-4,7-methanoisoindole-1,3(2h)-dione
| Molecular Formula | C18H17NO4 |
|---|---|
| Molecular Weight | 311.12 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 63.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 311.11575 |
| Heavy Atoms | 23 |
| Complexity | 546.0 |
Chemical Identifiers
| CAS Number | 54716-02-8 |
|---|---|
| SMILES | CC(=O)COC1=CC=C(C=C1)N2C(=O)C3C4CC(C3C2=O)C=C4 |
| InChIKey | ULLDGUHBHPHDHS-UHFFFAOYSA-N |
Product Overview
RefChem:286129 (CAS 54716-02-8), with molecular formula C18H17NO4 and molecular weight 311.12 g/mol. IUPAC: 4-[4-(2-oxopropoxy)phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.
Chemical Property Profile of RefChem:286129
Property Insights of RefChem:286129
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:286129. The TPSA of 63.7 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:286129. Following Lipinski's Rule of Five, RefChem:286129 has 0 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 RefChem:286129?
The CAS number of RefChem:286129 is 54716-02-8.
What is the molecular formula of RefChem:286129?
The molecular formula of RefChem:286129 is C18H17NO4.
What is the molecular weight of RefChem:286129?
The molecular weight of RefChem:286129 is 311.12 g/mol.
Where can I buy RefChem:286129?
You can request a quote for RefChem:286129 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:286129?
Yes, KEHONG BIO provides custom synthesis services for RefChem:286129 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.