BAS 02078593
TL;DR: BAS 02078593 (CAS 333443-73-5) is a chemical compound with molecular formula C22H22N2O5S and molecular weight 426.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanoyl]amino]benzoate
Also Known As: BAS 02078593, ethyl 4-{[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(methylsulfanyl)butanoyl]amino}benzoate, ethyl 4-(2-(1,3-dioxoisoindolin-2-yl)-4-(methylthio)butanamido)benzoate, ethyl 4-[[2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanoyl]amino]benzoate, ethyl 4-[2-(1,3-dioxobenzo[c]azolin-2-yl)-4-methylthiobutanoylamino]benzoate
| Molecular Formula | C22H22N2O5S |
|---|---|
| Molecular Weight | 426.12 g/mol |
| LogP | 3.2197 |
| Topological Polar Surface Area | 92.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 426.12494 |
| Heavy Atoms | 30 |
| Complexity | 938.7481 |
Chemical Identifiers
| CAS Number | 333443-73-5 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)C(CCSC)N2C(=O)C3=CC=CC=C3C2=O |
Product Overview
BAS 02078593 (CAS 333443-73-5), with molecular formula C22H22N2O5S and molecular weight 426.12 g/mol. IUPAC: ethyl 4-[[2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanoyl]amino]benzoate.
Chemical Property Profile of BAS 02078593
Property Insights of BAS 02078593
The XLogP value of 3.2197 indicates that BAS 02078593 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 BAS 02078593. Following Lipinski's Rule of Five, BAS 02078593 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 BAS 02078593?
The CAS number of BAS 02078593 is 333443-73-5.
What is the molecular formula of BAS 02078593?
The molecular formula of BAS 02078593 is C22H22N2O5S.
What is the molecular weight of BAS 02078593?
The molecular weight of BAS 02078593 is 426.12 g/mol.
Where can I buy BAS 02078593?
You can request a quote for BAS 02078593 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02078593?
Yes, KEHONG BIO provides custom synthesis services for BAS 02078593 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.