1-(2-Imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)butan-2-one;hydrobromide
TL;DR: 1-(2-Imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)butan-2-one;hydrobromide (CAS 389850-16-2) is a chemical compound with molecular formula C11H17BrN2OS and molecular weight 304.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)butan-2-one;hydrobromide
Also Known As: 1-(2-imino-4,5,6,7-tetrahydrobenzothiazol-3-yl)butan-2-one Hydrobromide, 1-(2-imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)butan-2-one;hydrobromide
| Molecular Formula | C11H17BrN2OS |
|---|---|
| Molecular Weight | 304.02 g/mol |
| LogP | 2.46487 |
| Topological Polar Surface Area | 45.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 304.0245 |
| Heavy Atoms | 16 |
| Complexity | 435.68323 |
Chemical Identifiers
| CAS Number | 389850-16-2 |
|---|---|
| SMILES | CCC(=O)CN1C2=C(CCCC2)SC1=N.Br |
Product Overview
1-(2-Imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)butan-2-one;hydrobromide (CAS 389850-16-2), with molecular formula C11H17BrN2OS and molecular weight 304.02 g/mol. IUPAC: 1-(2-imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)butan-2-one;hydrobromide.
Chemical Property Profile of 1-(2-Imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)butan-2-one;hydrobromide
Property Insights of 1-(2-Imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)butan-2-one;hydrobromide
The XLogP value of 2.46487 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)butan-2-one;hydrobromide. With a topological polar surface area (TPSA) of 45.85 Ų, 1-(2-Imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)butan-2-one;hydrobromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)butan-2-one;hydrobromide 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 1-(2-Imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)butan-2-one;hydrobromide?
The CAS number of 1-(2-Imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)butan-2-one;hydrobromide is 389850-16-2.
What is the molecular formula of 1-(2-Imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)butan-2-one;hydrobromide?
The molecular formula of 1-(2-Imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)butan-2-one;hydrobromide is C11H17BrN2OS.
What is the molecular weight of 1-(2-Imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)butan-2-one;hydrobromide?
The molecular weight of 1-(2-Imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)butan-2-one;hydrobromide is 304.02 g/mol.
Where can I buy 1-(2-Imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)butan-2-one;hydrobromide?
You can request a quote for 1-(2-Imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)butan-2-one;hydrobromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)butan-2-one;hydrobromide?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)butan-2-one;hydrobromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.