2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide
TL;DR: 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide (CAS 522651-53-2) is a chemical compound with molecular formula C14H14N4O3S3 and molecular weight 382.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide
Also Known As: 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide, 2-(4,5-DIHYDRO-1,3-THIAZOL-2-YLSULFANYL)-N~1~-(6-NITRO-1,3-BENZOTHIAZOL-2-YL)BUTANAMIDE
| Molecular Formula | C14H14N4O3S3 |
|---|---|
| Molecular Weight | 382.02 g/mol |
| LogP | 3.7576 |
| Topological Polar Surface Area | 97.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 382.0228 |
| Heavy Atoms | 24 |
| Complexity | 820.69763 |
Chemical Identifiers
| CAS Number | 522651-53-2 |
|---|---|
| SMILES | CCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-])SC3=NCCS3 |
Product Overview
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide (CAS 522651-53-2), with molecular formula C14H14N4O3S3 and molecular weight 382.02 g/mol. IUPAC: 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide.
Chemical Property Profile of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide
Property Insights of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide
The XLogP value of 3.7576 indicates that 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-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 97.49 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide. Following Lipinski's Rule of Five, 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide has 1 hydrogen bond donor(s) and 8 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-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide?
The CAS number of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide is 522651-53-2.
What is the molecular formula of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide?
The molecular formula of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide is C14H14N4O3S3.
What is the molecular weight of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide?
The molecular weight of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide is 382.02 g/mol.
Where can I buy 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide?
You can request a quote for 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-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 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.