4-(3-bromophenoxy)-N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide
TL;DR: 4-(3-bromophenoxy)-N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide (CAS 5589-25-3) is a chemical compound with molecular formula C18H17BrN2O3S and molecular weight 420.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-bromophenoxy)-N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide
Also Known As: 4-(3-bromophenoxy)-N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide, 4-(3-bromophenoxy)-N-(6-methoxybenzothiazol-2-yl)butanamide
| Molecular Formula | C18H17BrN2O3S |
|---|---|
| Molecular Weight | 420.01 g/mol |
| LogP | 4.8651 |
| Topological Polar Surface Area | 60.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 420.01434 |
| Heavy Atoms | 25 |
| Complexity | 881.6386 |
Chemical Identifiers
| CAS Number | 5589-25-3 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)N=C(S2)NC(=O)CCCOC3=CC(=CC=C3)Br |
Product Overview
4-(3-bromophenoxy)-N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide (CAS 5589-25-3), with molecular formula C18H17BrN2O3S and molecular weight 420.01 g/mol. IUPAC: 4-(3-bromophenoxy)-N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide.
Chemical Property Profile of 4-(3-bromophenoxy)-N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide
Property Insights of 4-(3-bromophenoxy)-N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide
The XLogP value of 4.8651 indicates that 4-(3-bromophenoxy)-N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.45 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3-bromophenoxy)-N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide. Following Lipinski's Rule of Five, 4-(3-bromophenoxy)-N-(6-methoxy-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 4-(3-bromophenoxy)-N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide?
The CAS number of 4-(3-bromophenoxy)-N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide is 5589-25-3.
What is the molecular formula of 4-(3-bromophenoxy)-N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide?
The molecular formula of 4-(3-bromophenoxy)-N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide is C18H17BrN2O3S.
What is the molecular weight of 4-(3-bromophenoxy)-N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide?
The molecular weight of 4-(3-bromophenoxy)-N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide is 420.01 g/mol.
Where can I buy 4-(3-bromophenoxy)-N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide?
You can request a quote for 4-(3-bromophenoxy)-N-(6-methoxy-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 4-(3-bromophenoxy)-N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-bromophenoxy)-N-(6-methoxy-1,3-benzothiazol-2-yl)butanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.