2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide
TL;DR: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide (CAS 522651-65-6) is a chemical compound with molecular formula C17H17N5O3S2 and molecular weight 403.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide
Also Known As: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide, 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide, 2-[(4,6-DIMETHYL-2-PYRIMIDINYL)SULFANYL]-N~1~-(6-NITRO-1,3-BENZOTHIAZOL-2-YL)BUTANAMIDE
| Molecular Formula | C17H17N5O3S2 |
|---|---|
| Molecular Weight | 403.08 g/mol |
| LogP | 4.12074 |
| Topological Polar Surface Area | 110.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 403.07727 |
| Heavy Atoms | 27 |
| Complexity | 1000.72156 |
Chemical Identifiers
| CAS Number | 522651-65-6 |
|---|---|
| SMILES | CCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-])SC3=NC(=CC(=N3)C)C |
Product Overview
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide (CAS 522651-65-6), with molecular formula C17H17N5O3S2 and molecular weight 403.08 g/mol. IUPAC: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide.
Chemical Property Profile of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide
Property Insights of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide
The XLogP value of 4.12074 indicates that 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-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 110.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide. Following Lipinski's Rule of Five, 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-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-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide?
The CAS number of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide is 522651-65-6.
What is the molecular formula of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide?
The molecular formula of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide is C17H17N5O3S2.
What is the molecular weight of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide?
The molecular weight of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide is 403.08 g/mol.
Where can I buy 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide?
You can request a quote for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-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-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.