N-(1,3-benzothiazol-2-yl)-2-bromoacetamide
TL;DR: N-(1,3-benzothiazol-2-yl)-2-bromoacetamide (CAS 121189-77-3) is a chemical compound with molecular formula C9H7BrN2OS and molecular weight 269.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzothiazol-2-yl)-2-bromoacetamide
Also Known As: N-(1,3-benzothiazol-2-yl)-2-bromoacetamide, 2-bromo-n-(2-benzothiazolyl)acetamide, N-1,3-benzothiazol-2-yl-2-bromoacetamide, N-2-benzothiazolyl-2-bromoacetamide, N-benzothiazol-2-yl-2-bromo-acetamide
| Molecular Formula | C9H7BrN2OS |
|---|---|
| Molecular Weight | 269.95 g/mol |
| LogP | 2.6297 |
| Topological Polar Surface Area | 41.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 269.94626 |
| Heavy Atoms | 14 |
| Complexity | 435.53482 |
Chemical Identifiers
| CAS Number | 121189-77-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)NC(=O)CBr |
Product Overview
N-(1,3-benzothiazol-2-yl)-2-bromoacetamide (CAS 121189-77-3), with molecular formula C9H7BrN2OS and molecular weight 269.95 g/mol. IUPAC: N-(1,3-benzothiazol-2-yl)-2-bromoacetamide.
Chemical Property Profile of N-(1,3-benzothiazol-2-yl)-2-bromoacetamide
Property Insights of N-(1,3-benzothiazol-2-yl)-2-bromoacetamide
The XLogP value of 2.6297 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,3-benzothiazol-2-yl)-2-bromoacetamide. With a topological polar surface area (TPSA) of 41.99 Ų, N-(1,3-benzothiazol-2-yl)-2-bromoacetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1,3-benzothiazol-2-yl)-2-bromoacetamide 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 N-(1,3-benzothiazol-2-yl)-2-bromoacetamide?
The CAS number of N-(1,3-benzothiazol-2-yl)-2-bromoacetamide is 121189-77-3.
What is the molecular formula of N-(1,3-benzothiazol-2-yl)-2-bromoacetamide?
The molecular formula of N-(1,3-benzothiazol-2-yl)-2-bromoacetamide is C9H7BrN2OS.
What is the molecular weight of N-(1,3-benzothiazol-2-yl)-2-bromoacetamide?
The molecular weight of N-(1,3-benzothiazol-2-yl)-2-bromoacetamide is 269.95 g/mol.
Where can I buy N-(1,3-benzothiazol-2-yl)-2-bromoacetamide?
You can request a quote for N-(1,3-benzothiazol-2-yl)-2-bromoacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,3-benzothiazol-2-yl)-2-bromoacetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzothiazol-2-yl)-2-bromoacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.