3-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide
TL;DR: 3-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide (CAS 349574-63-6) is a chemical compound with molecular formula C12H13N3O3S and molecular weight 279.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide
Also Known As: 3-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide, 3-methyl-N-(6-nitrobenzothiazol-2-yl)butanamide, AB00111002-01, 3-methyl-N-(6-nitrobenzo[d]thiazol-2-yl)butanamide
| Molecular Formula | C12H13N3O3S |
|---|---|
| Molecular Weight | 279.07 g/mol |
| LogP | 3.1891 |
| Topological Polar Surface Area | 85.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 279.06775 |
| Heavy Atoms | 19 |
| Complexity | 636.18134 |
Chemical Identifiers
| CAS Number | 349574-63-6 |
|---|---|
| SMILES | CC(C)CC(=O)NC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-] |
Product Overview
3-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide (CAS 349574-63-6), with molecular formula C12H13N3O3S and molecular weight 279.07 g/mol. IUPAC: 3-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide.
Chemical Property Profile of 3-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide
Property Insights of 3-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide
The XLogP value of 3.1891 indicates that 3-methyl-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 85.13 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide. Following Lipinski's Rule of Five, 3-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide has 1 hydrogen bond donor(s) and 5 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 3-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide?
The CAS number of 3-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide is 349574-63-6.
What is the molecular formula of 3-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide?
The molecular formula of 3-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide is C12H13N3O3S.
What is the molecular weight of 3-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide?
The molecular weight of 3-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide is 279.07 g/mol.
Where can I buy 3-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide?
You can request a quote for 3-methyl-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 3-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.