BAS 02078590
TL;DR: BAS 02078590 (CAS 333443-71-3) is a chemical compound with molecular formula C19H17N3O5S and molecular weight 399.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanyl-N-(4-nitrophenyl)butanamide
Also Known As: BAS 02078590, 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-{4-nitrophenyl}-4-(methylsulfanyl)butanamide, 2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanyl-N-(4-nitrophenyl)butanamide, 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(methylsulfanyl)-N-(4-nitrophenyl)butanamide, 2-(1,3-dioxobenzo[c]azolin-2-yl)-4-methylthio-N-(4-nitrophenyl)butanamide
| Molecular Formula | C19H17N3O5S |
|---|---|
| Molecular Weight | 399.09 g/mol |
| LogP | 2.9512 |
| Topological Polar Surface Area | 109.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 399.0889 |
| Heavy Atoms | 28 |
| Complexity | 909.8402 |
Chemical Identifiers
| CAS Number | 333443-71-3 |
|---|---|
| SMILES | CSCCC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])N2C(=O)C3=CC=CC=C3C2=O |
Product Overview
BAS 02078590 (CAS 333443-71-3), with molecular formula C19H17N3O5S and molecular weight 399.09 g/mol. IUPAC: 2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanyl-N-(4-nitrophenyl)butanamide.
Chemical Property Profile of BAS 02078590
Property Insights of BAS 02078590
The XLogP value of 2.9512 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 02078590. The TPSA of 109.62 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02078590. Following Lipinski's Rule of Five, BAS 02078590 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 02078590?
The CAS number of BAS 02078590 is 333443-71-3.
What is the molecular formula of BAS 02078590?
The molecular formula of BAS 02078590 is C19H17N3O5S.
What is the molecular weight of BAS 02078590?
The molecular weight of BAS 02078590 is 399.09 g/mol.
Where can I buy BAS 02078590?
You can request a quote for BAS 02078590 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02078590?
Yes, KEHONG BIO provides custom synthesis services for BAS 02078590 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.