4-(1,3-dioxoisoindol-2-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide
TL;DR: 4-(1,3-dioxoisoindol-2-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide (CAS 449168-78-9) is a chemical compound with molecular formula C19H14N4O5S and molecular weight 410.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-dioxoisoindol-2-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide
Also Known As: AS-871/41251193, 4-(1,3-dioxoisoindol-2-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide, 4-(1,3-dioxobenzo[c]azolin-2-yl)-N-(6-nitrobenzothiazol-2-yl)butanamide, 4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-{6-nitro-1,3-benzothiazol-2-yl}butanamide
| Molecular Formula | C19H14N4O5S |
|---|---|
| Molecular Weight | 410.07 g/mol |
| LogP | 3.2194 |
| Topological Polar Surface Area | 122.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 410.06848 |
| Heavy Atoms | 29 |
| Complexity | 1137.3708 |
Chemical Identifiers
| CAS Number | 449168-78-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C2=O)CCCC(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-] |
Product Overview
4-(1,3-dioxoisoindol-2-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide (CAS 449168-78-9), with molecular formula C19H14N4O5S and molecular weight 410.07 g/mol. IUPAC: 4-(1,3-dioxoisoindol-2-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide.
Chemical Property Profile of 4-(1,3-dioxoisoindol-2-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide
Property Insights of 4-(1,3-dioxoisoindol-2-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide
The XLogP value of 3.2194 indicates that 4-(1,3-dioxoisoindol-2-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(1,3-dioxoisoindol-2-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide. Following Lipinski's Rule of Five, 4-(1,3-dioxoisoindol-2-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide has 1 hydrogen bond donor(s) and 7 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 4-(1,3-dioxoisoindol-2-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide?
The CAS number of 4-(1,3-dioxoisoindol-2-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide is 449168-78-9.
What is the molecular formula of 4-(1,3-dioxoisoindol-2-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide?
The molecular formula of 4-(1,3-dioxoisoindol-2-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide is C19H14N4O5S.
What is the molecular weight of 4-(1,3-dioxoisoindol-2-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide?
The molecular weight of 4-(1,3-dioxoisoindol-2-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide is 410.07 g/mol.
Where can I buy 4-(1,3-dioxoisoindol-2-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide?
You can request a quote for 4-(1,3-dioxoisoindol-2-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1,3-dioxoisoindol-2-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(1,3-dioxoisoindol-2-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.