ChemDiv1_009897
TL;DR: ChemDiv1_009897 (CAS 438462-12-5) is a chemical compound with molecular formula C24H20ClNO5 and molecular weight 437.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-chlorophenyl)-2-oxoethyl] 4-(4-methyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)benzoate
Also Known As: ChemDiv1_009897, 2-(4-chlorophenyl)-2-oxoethyl 4-(4-methyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoate, [2-(4-chlorophenyl)-2-oxoethyl] 4-(4-methyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)benzoate, 2-(4-CHLOROPHENYL)-2-OXOETHYL 4-(4-METHYL-1,3-DIOXO-2,3,3A,4,7,7A-HEXAHYDRO-1H-ISOINDOL-2-YL)BENZOATE, 2-(4-chlorophenyl)-2-oxoethyl 4-(4-methyl-1,3-dioxo-3a,4,7,7a-tetrahydro-1H-isoindol-2(3H)-yl)benzoate
| Molecular Formula | C24H20ClNO5 |
|---|---|
| Molecular Weight | 437.10 g/mol |
| LogP | 4.0813 |
| Topological Polar Surface Area | 80.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 437.103 |
| Heavy Atoms | 31 |
| Complexity | 1074.1534 |
Chemical Identifiers
| CAS Number | 438462-12-5 |
|---|---|
| SMILES | CC1C=CCC2C1C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)OCC(=O)C4=CC=C(C=C4)Cl |
Product Overview
ChemDiv1_009897 (CAS 438462-12-5), with molecular formula C24H20ClNO5 and molecular weight 437.10 g/mol. IUPAC: [2-(4-chlorophenyl)-2-oxoethyl] 4-(4-methyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)benzoate.
Chemical Property Profile of ChemDiv1_009897
Property Insights of ChemDiv1_009897
The XLogP value of 4.0813 indicates that ChemDiv1_009897 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_009897. Following Lipinski's Rule of Five, ChemDiv1_009897 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_009897?
The CAS number of ChemDiv1_009897 is 438462-12-5.
What is the molecular formula of ChemDiv1_009897?
The molecular formula of ChemDiv1_009897 is C24H20ClNO5.
What is the molecular weight of ChemDiv1_009897?
The molecular weight of ChemDiv1_009897 is 437.10 g/mol.
Where can I buy ChemDiv1_009897?
You can request a quote for ChemDiv1_009897 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_009897?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_009897 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.