2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-nitrophenyl)butanamide
TL;DR: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-nitrophenyl)butanamide (CAS 312285-73-7) is a chemical compound with molecular formula C17H15N3O3S2 and molecular weight 373.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-nitrophenyl)butanamide
Also Known As: BIM-0036900.P001, 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-nitrophenyl)butanamide, 2-benzothiazol-2-ylthio-N-(4-nitrophenyl)butanamide, A1785/0075628, 2-(1,3-benzothiazol-2-ylsulfanyl)-N-{4-nitrophenyl}butanamide
| Molecular Formula | C17H15N3O3S2 |
|---|---|
| Molecular Weight | 373.06 g/mol |
| LogP | 4.7139 |
| Topological Polar Surface Area | 85.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 373.05548 |
| Heavy Atoms | 25 |
| Complexity | 875.9019 |
Chemical Identifiers
| CAS Number | 312285-73-7 |
|---|---|
| SMILES | CCC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])SC2=NC3=CC=CC=C3S2 |
Product Overview
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-nitrophenyl)butanamide (CAS 312285-73-7), with molecular formula C17H15N3O3S2 and molecular weight 373.06 g/mol. IUPAC: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-nitrophenyl)butanamide.
Chemical Property Profile of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-nitrophenyl)butanamide
Property Insights of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-nitrophenyl)butanamide
The XLogP value of 4.7139 indicates that 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-nitrophenyl)butanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.13 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-nitrophenyl)butanamide. Following Lipinski's Rule of Five, 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-nitrophenyl)butanamide 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 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-nitrophenyl)butanamide?
The CAS number of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-nitrophenyl)butanamide is 312285-73-7.
What is the molecular formula of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-nitrophenyl)butanamide?
The molecular formula of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-nitrophenyl)butanamide is C17H15N3O3S2.
What is the molecular weight of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-nitrophenyl)butanamide?
The molecular weight of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-nitrophenyl)butanamide is 373.06 g/mol.
Where can I buy 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-nitrophenyl)butanamide?
You can request a quote for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-nitrophenyl)butanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-nitrophenyl)butanamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-nitrophenyl)butanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.