ChemDiv1_001862
TL;DR: ChemDiv1_001862 (CAS 474377-31-6) is a chemical compound with molecular formula C25H21NO6 and molecular weight 431.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-methoxyphenyl)-2-oxoethyl] 3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)benzoate
Also Known As: ChemDiv1_001862, 2-(4-methoxyphenyl)-2-oxoethyl 3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzoate, [2-(4-methoxyphenyl)-2-oxoethyl] 3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)benzoate, 2-(4-methoxyphenyl)-2-oxoethyl 3-(1,3-dioxo-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindol-2(3H)-yl)benzoate, 2-(4-methoxyphenyl)-2-oxoethyl 3-(3,5-dioxo-4-azatricyclo[5.2.1.0<2,6>]dec-8-e n-4-yl)benzoate
| Molecular Formula | C25H21NO6 |
|---|---|
| Molecular Weight | 431.14 g/mol |
| LogP | 3.0464 |
| Topological Polar Surface Area | 89.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 431.1369 |
| Heavy Atoms | 32 |
| Complexity | 1121.277 |
Chemical Identifiers
| CAS Number | 474377-31-6 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=CC=C2)N3C(=O)C4C5CC(C4C3=O)C=C5 |
Product Overview
ChemDiv1_001862 (CAS 474377-31-6), with molecular formula C25H21NO6 and molecular weight 431.14 g/mol. IUPAC: [2-(4-methoxyphenyl)-2-oxoethyl] 3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)benzoate.
Chemical Property Profile of ChemDiv1_001862
Property Insights of ChemDiv1_001862
The XLogP value of 3.0464 indicates that ChemDiv1_001862 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.98 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_001862. Following Lipinski's Rule of Five, ChemDiv1_001862 has 0 hydrogen bond donor(s) and 6 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_001862?
The CAS number of ChemDiv1_001862 is 474377-31-6.
What is the molecular formula of ChemDiv1_001862?
The molecular formula of ChemDiv1_001862 is C25H21NO6.
What is the molecular weight of ChemDiv1_001862?
The molecular weight of ChemDiv1_001862 is 431.14 g/mol.
Where can I buy ChemDiv1_001862?
You can request a quote for ChemDiv1_001862 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_001862?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_001862 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.