ChemDiv3_000870
TL;DR: ChemDiv3_000870 (CAS 353514-75-7) 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.
methyl 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-3-methylbutanoate
Also Known As: ChemDiv3_000870, IDI1_019836, BRD-A23530034-001-01-4, methyl 2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-3-methylbutanoate, methyl 2-(3,5-dioxo-4-azatricyclo[5.2.1.0<2,6>]dec-8-en-4-yl)-3-methylbutanoat e
| Molecular Formula | C15H19NO4 |
|---|---|
| Molecular Weight | 277.13 g/mol |
| LogP | 0.9911 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 277.1314 |
| Heavy Atoms | 20 |
| Complexity | 480.0029 |
Chemical Identifiers
| CAS Number | 353514-75-7 |
|---|---|
| SMILES | CC(C)C(C(=O)OC)N1C(=O)C2C3CC(C2C1=O)C=C3 |
Product Overview
ChemDiv3_000870 (CAS 353514-75-7), with molecular formula C15H19NO4 and molecular weight 277.13 g/mol. IUPAC: methyl 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-3-methylbutanoate.
Chemical Property Profile of ChemDiv3_000870
Property Insights of ChemDiv3_000870
The XLogP value of 0.9911 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_000870. The TPSA of 63.68 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_000870. Following Lipinski's Rule of Five, ChemDiv3_000870 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 ChemDiv3_000870?
The CAS number of ChemDiv3_000870 is 353514-75-7.
What is the molecular formula of ChemDiv3_000870?
The molecular formula of ChemDiv3_000870 is C15H19NO4.
What is the molecular weight of ChemDiv3_000870?
The molecular weight of ChemDiv3_000870 is 277.13 g/mol.
Where can I buy ChemDiv3_000870?
You can request a quote for ChemDiv3_000870 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_000870?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_000870 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.