2,2-dimethyl-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide
TL;DR: 2,2-dimethyl-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide (CAS 784170-11-2) is a chemical compound with molecular formula C13H16N2OS and molecular weight 248.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethyl-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide
Also Known As: 2,2-dimethyl-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide, 2,2-dimethyl-N-(2-methylbenzothiazol-6-yl)propanamide
| Molecular Formula | C13H16N2OS |
|---|---|
| Molecular Weight | 248.10 g/mol |
| LogP | 3.58932 |
| Topological Polar Surface Area | 41.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 248.09833 |
| Heavy Atoms | 17 |
| Complexity | 566.2934 |
Chemical Identifiers
| CAS Number | 784170-11-2 |
|---|---|
| SMILES | CC1=NC2=C(S1)C=C(C=C2)NC(=O)C(C)(C)C |
Product Overview
2,2-dimethyl-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide (CAS 784170-11-2), with molecular formula C13H16N2OS and molecular weight 248.10 g/mol. IUPAC: 2,2-dimethyl-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide.
Chemical Property Profile of 2,2-dimethyl-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide
Property Insights of 2,2-dimethyl-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide
The XLogP value of 3.58932 indicates that 2,2-dimethyl-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.99 Ų, 2,2-dimethyl-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-dimethyl-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide has 1 hydrogen bond donor(s) and 3 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 2,2-dimethyl-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide?
The CAS number of 2,2-dimethyl-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide is 784170-11-2.
What is the molecular formula of 2,2-dimethyl-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide?
The molecular formula of 2,2-dimethyl-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide is C13H16N2OS.
What is the molecular weight of 2,2-dimethyl-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide?
The molecular weight of 2,2-dimethyl-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide is 248.10 g/mol.
Where can I buy 2,2-dimethyl-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide?
You can request a quote for 2,2-dimethyl-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-dimethyl-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide?
Yes, KEHONG BIO provides custom synthesis services for 2,2-dimethyl-N-(2-methyl-1,3-benzothiazol-6-yl)propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.