ChemDiv1_002589
TL;DR: ChemDiv1_002589 (CAS 360789-91-9) is a chemical compound with molecular formula C25H23NO6 and molecular weight 433.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-methoxyphenyl)-2-oxoethyl] 3-(4-methyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)benzoate
Also Known As: ChemDiv1_002589, 2-(4-methoxyphenyl)-2-oxoethyl 3-(4-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoate, [2-(4-methoxyphenyl)-2-oxoethyl] 3-(4-methyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)benzoate, 2-(4-METHOXYPHENYL)-2-OXOETHYL 3-(4-METHYL-1,3-DIOXO-2,3,3A,4,7,7A-HEXAHYDRO-1H-ISOINDOL-2-YL)BENZOATE, 2-(4-methoxyphenyl)-2-oxoethyl 3-(4-methyl-1,3-dioxo-3a,4,7,7a-tetrahydro-1H-isoindol-2(3H)-yl)benzoate
| Molecular Formula | C25H23NO6 |
|---|---|
| Molecular Weight | 433.15 g/mol |
| LogP | 3.4365 |
| Topological Polar Surface Area | 89.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 433.15253 |
| Heavy Atoms | 32 |
| Complexity | 1103.6702 |
Chemical Identifiers
| CAS Number | 360789-91-9 |
|---|---|
| SMILES | CC1C=CCC2C1C(=O)N(C2=O)C3=CC=CC(=C3)C(=O)OCC(=O)C4=CC=C(C=C4)OC |
Product Overview
ChemDiv1_002589 (CAS 360789-91-9), with molecular formula C25H23NO6 and molecular weight 433.15 g/mol. IUPAC: [2-(4-methoxyphenyl)-2-oxoethyl] 3-(4-methyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)benzoate.
Chemical Property Profile of ChemDiv1_002589
Property Insights of ChemDiv1_002589
The XLogP value of 3.4365 indicates that ChemDiv1_002589 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_002589. Following Lipinski's Rule of Five, ChemDiv1_002589 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_002589?
The CAS number of ChemDiv1_002589 is 360789-91-9.
What is the molecular formula of ChemDiv1_002589?
The molecular formula of ChemDiv1_002589 is C25H23NO6.
What is the molecular weight of ChemDiv1_002589?
The molecular weight of ChemDiv1_002589 is 433.15 g/mol.
Where can I buy ChemDiv1_002589?
You can request a quote for ChemDiv1_002589 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002589?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002589 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.