ChemDiv1_010297
TL;DR: ChemDiv1_010297 (CAS 433248-31-8) is a chemical compound with molecular formula C23H24N2O5S and molecular weight 440.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: ChemDiv1_010297, AE-641/40792825, ethyl 2-[3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanamido]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-{[3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C23H24N2O5S |
|---|---|
| Molecular Weight | 440.14 g/mol |
| LogP | 3.6744 |
| Topological Polar Surface Area | 92.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 440.1406 |
| Heavy Atoms | 31 |
| Complexity | 1038.9143 |
Chemical Identifiers
| CAS Number | 433248-31-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)CCN3C(=O)C4=CC=CC=C4C3=O |
Product Overview
ChemDiv1_010297 (CAS 433248-31-8), with molecular formula C23H24N2O5S and molecular weight 440.14 g/mol. IUPAC: ethyl 2-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of ChemDiv1_010297
Property Insights of ChemDiv1_010297
The XLogP value of 3.6744 indicates that ChemDiv1_010297 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.78 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_010297. Following Lipinski's Rule of Five, ChemDiv1_010297 has 1 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_010297?
The CAS number of ChemDiv1_010297 is 433248-31-8.
What is the molecular formula of ChemDiv1_010297?
The molecular formula of ChemDiv1_010297 is C23H24N2O5S.
What is the molecular weight of ChemDiv1_010297?
The molecular weight of ChemDiv1_010297 is 440.14 g/mol.
Where can I buy ChemDiv1_010297?
You can request a quote for ChemDiv1_010297 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_010297?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_010297 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.