3-methyl-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)butanamide
TL;DR: 3-methyl-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)butanamide (CAS 838880-29-8) is a chemical compound with molecular formula C12H15N3OS and molecular weight 249.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)butanamide
Also Known As: 3-methyl-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)butanamide, AN-153/40903486
| Molecular Formula | C12H15N3OS |
|---|---|
| Molecular Weight | 249.09 g/mol |
| LogP | 2.98432 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 249.09358 |
| Heavy Atoms | 17 |
| Complexity | 547.6744 |
Chemical Identifiers
| CAS Number | 838880-29-8 |
|---|---|
| SMILES | CC1=C(C2=NSN=C2C=C1)NC(=O)CC(C)C |
Product Overview
3-methyl-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)butanamide (CAS 838880-29-8), with molecular formula C12H15N3OS and molecular weight 249.09 g/mol. IUPAC: 3-methyl-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)butanamide.
Chemical Property Profile of 3-methyl-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)butanamide
Property Insights of 3-methyl-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)butanamide
The XLogP value of 2.98432 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-methyl-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)butanamide. With a topological polar surface area (TPSA) of 54.88 Ų, 3-methyl-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)butanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-methyl-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)butanamide has 1 hydrogen bond donor(s) and 4 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-(5-methyl-2,1,3-benzothiadiazol-4-yl)butanamide?
The CAS number of 3-methyl-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)butanamide is 838880-29-8.
What is the molecular formula of 3-methyl-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)butanamide?
The molecular formula of 3-methyl-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)butanamide is C12H15N3OS.
What is the molecular weight of 3-methyl-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)butanamide?
The molecular weight of 3-methyl-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)butanamide is 249.09 g/mol.
Where can I buy 3-methyl-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)butanamide?
You can request a quote for 3-methyl-N-(5-methyl-2,1,3-benzothiadiazol-4-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-(5-methyl-2,1,3-benzothiadiazol-4-yl)butanamide?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)butanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.