2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-bromophenyl)butanamide
TL;DR: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-bromophenyl)butanamide (CAS 693255-54-8) is a chemical compound with molecular formula C17H15BrN2OS2 and molecular weight 405.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-bromophenyl)butanamide
Also Known As: CBKinase1_003365, CBKinase1_015765, 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-bromophenyl)butanamide, BRD-A73146848-001-01-4
| Molecular Formula | C17H15BrN2OS2 |
|---|---|
| Molecular Weight | 405.98 g/mol |
| LogP | 5.5682 |
| Topological Polar Surface Area | 41.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 405.98093 |
| Heavy Atoms | 23 |
| Complexity | 783.83124 |
Chemical Identifiers
| CAS Number | 693255-54-8 |
|---|---|
| SMILES | CCC(C(=O)NC1=CC=C(C=C1)Br)SC2=NC3=CC=CC=C3S2 |
Product Overview
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-bromophenyl)butanamide (CAS 693255-54-8), with molecular formula C17H15BrN2OS2 and molecular weight 405.98 g/mol. IUPAC: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-bromophenyl)butanamide.
Chemical Property Profile of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-bromophenyl)butanamide
Property Insights of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-bromophenyl)butanamide
The XLogP value of 5.5682 indicates that 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-bromophenyl)butanamide 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-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-bromophenyl)butanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-bromophenyl)butanamide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-bromophenyl)butanamide?
The CAS number of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-bromophenyl)butanamide is 693255-54-8.
What is the molecular formula of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-bromophenyl)butanamide?
The molecular formula of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-bromophenyl)butanamide is C17H15BrN2OS2.
What is the molecular weight of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-bromophenyl)butanamide?
The molecular weight of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-bromophenyl)butanamide is 405.98 g/mol.
Where can I buy 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-bromophenyl)butanamide?
You can request a quote for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-bromophenyl)butanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-bromophenyl)butanamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-bromophenyl)butanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.