1-(2-methyl-benzothiazol-5-yl)-butan-1-one
TL;DR: 1-(2-methyl-benzothiazol-5-yl)-butan-1-one (CAS 5935-93-3) is a chemical compound with molecular formula C17H20BrN5OS2 and molecular weight 453.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-[2-[4-(dimethylamino)anilino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;hydrobromide
Also Known As: 1-(2-methyl-benzothiazol-5-yl)-butan-1-one, N-[5-[2-[4-(dimethylamino)anilino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;hydrobromide, N-[5-[2-[4-(dimethylamino)anilino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide hydrobromide, N-[5-[2-[4-(dimethylamino)anilino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide,hydrobromide, N-{2-[4-(Dimethylamino)anilino]-4'-methyl[4,5'-bi-1,3-thiazol]-2'-yl}acetamide--hydrogen bromide (1/1)
| Molecular Formula | C17H20BrN5OS2 |
|---|---|
| Molecular Weight | 453.03 g/mol |
| LogP | 4.92092 |
| Topological Polar Surface Area | 70.15 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 453.02927 |
| Heavy Atoms | 26 |
| Complexity | 888.95276 |
Chemical Identifiers
| CAS Number | 5935-93-3 |
|---|---|
| SMILES | CC1=C(SC(=N1)NC(=O)C)C2=CSC(=N2)NC3=CC=C(C=C3)N(C)C.Br |
Product Overview
1-(2-methyl-benzothiazol-5-yl)-butan-1-one (CAS 5935-93-3), with molecular formula C17H20BrN5OS2 and molecular weight 453.03 g/mol. IUPAC: N-[5-[2-[4-(dimethylamino)anilino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;hydrobromide.
Chemical Property Profile of 1-(2-methyl-benzothiazol-5-yl)-butan-1-one
Property Insights of 1-(2-methyl-benzothiazol-5-yl)-butan-1-one
The XLogP value of 4.92092 indicates that 1-(2-methyl-benzothiazol-5-yl)-butan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.15 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-methyl-benzothiazol-5-yl)-butan-1-one. Following Lipinski's Rule of Five, 1-(2-methyl-benzothiazol-5-yl)-butan-1-one has 2 hydrogen bond donor(s) and 7 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 1-(2-methyl-benzothiazol-5-yl)-butan-1-one?
The CAS number of 1-(2-methyl-benzothiazol-5-yl)-butan-1-one is 5935-93-3.
What is the molecular formula of 1-(2-methyl-benzothiazol-5-yl)-butan-1-one?
The molecular formula of 1-(2-methyl-benzothiazol-5-yl)-butan-1-one is C17H20BrN5OS2.
What is the molecular weight of 1-(2-methyl-benzothiazol-5-yl)-butan-1-one?
The molecular weight of 1-(2-methyl-benzothiazol-5-yl)-butan-1-one is 453.03 g/mol.
Where can I buy 1-(2-methyl-benzothiazol-5-yl)-butan-1-one?
You can request a quote for 1-(2-methyl-benzothiazol-5-yl)-butan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-methyl-benzothiazol-5-yl)-butan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-methyl-benzothiazol-5-yl)-butan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.