ChemDiv1_010157
TL;DR: ChemDiv1_010157 (CAS 438461-91-7) is a chemical compound with molecular formula C24H19NO5 and molecular weight 401.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenacyl 3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)benzoate
Also Known As: ChemDiv1_010157, BAS 00680526, 2-oxo-2-phenylethyl 3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzoate, 2-oxo-2-phenylethyl 3-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)benzoate, phenacyl 3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)benzoate
| Molecular Formula | C24H19NO5 |
|---|---|
| Molecular Weight | 401.13 g/mol |
| LogP | 3.0378 |
| Topological Polar Surface Area | 80.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 401.1263 |
| Heavy Atoms | 30 |
| Complexity | 1059.7849 |
Chemical Identifiers
| CAS Number | 438461-91-7 |
|---|---|
| SMILES | C1C2C=CC1C3C2C(=O)N(C3=O)C4=CC=CC(=C4)C(=O)OCC(=O)C5=CC=CC=C5 |
Product Overview
ChemDiv1_010157 (CAS 438461-91-7), with molecular formula C24H19NO5 and molecular weight 401.13 g/mol. IUPAC: phenacyl 3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)benzoate.
Chemical Property Profile of ChemDiv1_010157
Property Insights of ChemDiv1_010157
The XLogP value of 3.0378 indicates that ChemDiv1_010157 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.75 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_010157. Following Lipinski's Rule of Five, ChemDiv1_010157 has 0 hydrogen bond donor(s) and 5 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 ChemDiv1_010157?
The CAS number of ChemDiv1_010157 is 438461-91-7.
What is the molecular formula of ChemDiv1_010157?
The molecular formula of ChemDiv1_010157 is C24H19NO5.
What is the molecular weight of ChemDiv1_010157?
The molecular weight of ChemDiv1_010157 is 401.13 g/mol.
Where can I buy ChemDiv1_010157?
You can request a quote for ChemDiv1_010157 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_010157?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_010157 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.