ChemDiv2_005055
TL;DR: ChemDiv2_005055 (CAS 5546-65-6) is a chemical compound with molecular formula C24H18N2O5 and molecular weight 414.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1,3-dioxoisoindol-2-yl)methyl 2-benzamido-2-phenylacetate
Also Known As: ChemDiv2_005055, IDI1_003770, (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl phenyl[(phenylcarbonyl)amino]acetate, (1,3-dioxoisoindol-2-yl)methyl 2-benzamido-2-phenylacetate, A0806/0037745
| Molecular Formula | C24H18N2O5 |
|---|---|
| Molecular Weight | 414.12 g/mol |
| LogP | 2.9546 |
| Topological Polar Surface Area | 92.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 414.12158 |
| Heavy Atoms | 31 |
| Complexity | 1109.9009 |
Chemical Identifiers
| CAS Number | 5546-65-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C(=O)OCN2C(=O)C3=CC=CC=C3C2=O)NC(=O)C4=CC=CC=C4 |
Product Overview
ChemDiv2_005055 (CAS 5546-65-6), with molecular formula C24H18N2O5 and molecular weight 414.12 g/mol. IUPAC: (1,3-dioxoisoindol-2-yl)methyl 2-benzamido-2-phenylacetate.
Chemical Property Profile of ChemDiv2_005055
Property Insights of ChemDiv2_005055
The XLogP value of 2.9546 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv2_005055. The TPSA of 92.78 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_005055. Following Lipinski's Rule of Five, ChemDiv2_005055 has 1 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 ChemDiv2_005055?
The CAS number of ChemDiv2_005055 is 5546-65-6.
What is the molecular formula of ChemDiv2_005055?
The molecular formula of ChemDiv2_005055 is C24H18N2O5.
What is the molecular weight of ChemDiv2_005055?
The molecular weight of ChemDiv2_005055 is 414.12 g/mol.
Where can I buy ChemDiv2_005055?
You can request a quote for ChemDiv2_005055 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_005055?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_005055 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.