2-bromo-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)butanamide
TL;DR: 2-bromo-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)butanamide (CAS 6286-83-5) is a chemical compound with molecular formula C15H18BrN3O3S2 and molecular weight 431.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)butanamide
Also Known As: 2-bromo-N-(6-pyrrolidin-1-ylsulfonylbenzothiazol-2-yl)butanamide, 2-bromo-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)butanamide
| Molecular Formula | C15H18BrN3O3S2 |
|---|---|
| Molecular Weight | 431.00 g/mol |
| LogP | 3.1928 |
| Topological Polar Surface Area | 79.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 430.9973 |
| Heavy Atoms | 24 |
| Complexity | 859.9715 |
Chemical Identifiers
| CAS Number | 6286-83-5 |
|---|---|
| SMILES | CCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)N3CCCC3)Br |
Product Overview
2-bromo-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)butanamide (CAS 6286-83-5), with molecular formula C15H18BrN3O3S2 and molecular weight 431.00 g/mol. IUPAC: 2-bromo-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)butanamide.
Chemical Property Profile of 2-bromo-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)butanamide
Property Insights of 2-bromo-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)butanamide
The XLogP value of 3.1928 indicates that 2-bromo-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)butanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.37 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-bromo-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)butanamide. Following Lipinski's Rule of Five, 2-bromo-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)butanamide has 1 hydrogen bond donor(s) and 5 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 2-bromo-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)butanamide?
The CAS number of 2-bromo-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)butanamide is 6286-83-5.
What is the molecular formula of 2-bromo-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)butanamide?
The molecular formula of 2-bromo-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)butanamide is C15H18BrN3O3S2.
What is the molecular weight of 2-bromo-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)butanamide?
The molecular weight of 2-bromo-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)butanamide is 431.00 g/mol.
Where can I buy 2-bromo-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)butanamide?
You can request a quote for 2-bromo-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)butanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-bromo-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)butanamide?
Yes, KEHONG BIO provides custom synthesis services for 2-bromo-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)butanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.