![2-[1-(4-Bromobenzoyl)piperidin-4-yl]-1,3-benzothiazole structure](/static/products/605/605627-97-2.png)
2-[1-(4-Bromobenzoyl)piperidin-4-yl]-1,3-benzothiazole
TL;DR: 2-[1-(4-Bromobenzoyl)piperidin-4-yl]-1,3-benzothiazole (CAS 605627-97-2) is a chemical compound with molecular formula C19H17BrN2OS and molecular weight 400.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(4-bromophenyl)methanone
Also Known As: US11116757, No. D9, 2-[1-(4-bromobenzoyl)piperidin-4-yl]-1,3-benzothiazole, AB00778539-01, 4-benzothiazol-2-ylpiperidyl 4-bromophenyl ketone, D345-0328
| Molecular Formula | C19H17BrN2OS |
|---|---|
| Molecular Weight | 400.02 g/mol |
| LogP | 5.0786 |
| Topological Polar Surface Area | 33.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 400.0245 |
| Heavy Atoms | 24 |
| Complexity | 833.464 |
Chemical Identifiers
| CAS Number | 605627-97-2 |
|---|---|
| SMILES | C1CN(CCC1C2=NC3=CC=CC=C3S2)C(=O)C4=CC=C(C=C4)Br |
Product Overview
2-[1-(4-Bromobenzoyl)piperidin-4-yl]-1,3-benzothiazole (CAS 605627-97-2), with molecular formula C19H17BrN2OS and molecular weight 400.02 g/mol. IUPAC: [4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(4-bromophenyl)methanone.
Chemical Property Profile of 2-[1-(4-Bromobenzoyl)piperidin-4-yl]-1,3-benzothiazole
Property Insights of 2-[1-(4-Bromobenzoyl)piperidin-4-yl]-1,3-benzothiazole
The XLogP value of 5.0786 indicates that 2-[1-(4-Bromobenzoyl)piperidin-4-yl]-1,3-benzothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.2 Ų, 2-[1-(4-Bromobenzoyl)piperidin-4-yl]-1,3-benzothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[1-(4-Bromobenzoyl)piperidin-4-yl]-1,3-benzothiazole has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[1-(4-Bromobenzoyl)piperidin-4-yl]-1,3-benzothiazole?
The CAS number of 2-[1-(4-Bromobenzoyl)piperidin-4-yl]-1,3-benzothiazole is 605627-97-2.
What is the molecular formula of 2-[1-(4-Bromobenzoyl)piperidin-4-yl]-1,3-benzothiazole?
The molecular formula of 2-[1-(4-Bromobenzoyl)piperidin-4-yl]-1,3-benzothiazole is C19H17BrN2OS.
What is the molecular weight of 2-[1-(4-Bromobenzoyl)piperidin-4-yl]-1,3-benzothiazole?
The molecular weight of 2-[1-(4-Bromobenzoyl)piperidin-4-yl]-1,3-benzothiazole is 400.02 g/mol.
Where can I buy 2-[1-(4-Bromobenzoyl)piperidin-4-yl]-1,3-benzothiazole?
You can request a quote for 2-[1-(4-Bromobenzoyl)piperidin-4-yl]-1,3-benzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[1-(4-Bromobenzoyl)piperidin-4-yl]-1,3-benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-[1-(4-Bromobenzoyl)piperidin-4-yl]-1,3-benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.