IFLab1_003781
TL;DR: IFLab1_003781 (CAS 346665-94-9) is a chemical compound with molecular formula C15H19NO4 and molecular weight 277.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-4-methylpentanoic acid
Also Known As: IFLab1_003781, IDI1_009888, 2-(1,3-Dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-4-methyl- pentanoic acid, 2-(1,3-Dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-4-methyl-pentanoic acid, VU0086160-2
| Molecular Formula | C15H19NO4 |
|---|---|
| Molecular Weight | 277.13 g/mol |
| LogP | 1.2928 |
| Topological Polar Surface Area | 74.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 277.1314 |
| Heavy Atoms | 20 |
| Complexity | 480.0029 |
Chemical Identifiers
| CAS Number | 346665-94-9 |
|---|---|
| SMILES | CC(C)CC(C(=O)O)N1C(=O)C2C3CC(C2C1=O)C=C3 |
Product Overview
IFLab1_003781 (CAS 346665-94-9), with molecular formula C15H19NO4 and molecular weight 277.13 g/mol. IUPAC: 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-4-methylpentanoic acid.
Chemical Property Profile of IFLab1_003781
Property Insights of IFLab1_003781
The XLogP value of 1.2928 suggests moderate lipophilicity, balancing water solubility and membrane permeability for IFLab1_003781. The TPSA of 74.68 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_003781. Following Lipinski's Rule of Five, IFLab1_003781 has 1 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 IFLab1_003781?
The CAS number of IFLab1_003781 is 346665-94-9.
What is the molecular formula of IFLab1_003781?
The molecular formula of IFLab1_003781 is C15H19NO4.
What is the molecular weight of IFLab1_003781?
The molecular weight of IFLab1_003781 is 277.13 g/mol.
Where can I buy IFLab1_003781?
You can request a quote for IFLab1_003781 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_003781?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_003781 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.