4-(1,3-benzothiazol-2-yl)-N-phenylbutanamide
TL;DR: 4-(1,3-benzothiazol-2-yl)-N-phenylbutanamide (CAS 539807-79-9) is a chemical compound with molecular formula C17H16N2OS and molecular weight 296.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-benzothiazol-2-yl)-N-phenylbutanamide
Also Known As: 4-(1,3-benzothiazol-2-yl)-N-phenylbutanamide, 4-(benzo[d]thiazol-2-yl)-N-phenylbutanamide, 4-benzothiazol-2-yl-N-phenylbutanamide, 4-Benzothiazol-2-yl-N-phenyl-butyramide, BAS 05228868
| Molecular Formula | C17H16N2OS |
|---|---|
| Molecular Weight | 296.10 g/mol |
| LogP | 4.2577 |
| Topological Polar Surface Area | 41.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 296.09833 |
| Heavy Atoms | 21 |
| Complexity | 703.64465 |
Chemical Identifiers
| CAS Number | 539807-79-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=O)CCCC2=NC3=CC=CC=C3S2 |
Product Overview
4-(1,3-benzothiazol-2-yl)-N-phenylbutanamide (CAS 539807-79-9), with molecular formula C17H16N2OS and molecular weight 296.10 g/mol. IUPAC: 4-(1,3-benzothiazol-2-yl)-N-phenylbutanamide.
Chemical Property Profile of 4-(1,3-benzothiazol-2-yl)-N-phenylbutanamide
Property Insights of 4-(1,3-benzothiazol-2-yl)-N-phenylbutanamide
The XLogP value of 4.2577 indicates that 4-(1,3-benzothiazol-2-yl)-N-phenylbutanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.99 Ų, 4-(1,3-benzothiazol-2-yl)-N-phenylbutanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(1,3-benzothiazol-2-yl)-N-phenylbutanamide 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 4-(1,3-benzothiazol-2-yl)-N-phenylbutanamide?
The CAS number of 4-(1,3-benzothiazol-2-yl)-N-phenylbutanamide is 539807-79-9.
What is the molecular formula of 4-(1,3-benzothiazol-2-yl)-N-phenylbutanamide?
The molecular formula of 4-(1,3-benzothiazol-2-yl)-N-phenylbutanamide is C17H16N2OS.
What is the molecular weight of 4-(1,3-benzothiazol-2-yl)-N-phenylbutanamide?
The molecular weight of 4-(1,3-benzothiazol-2-yl)-N-phenylbutanamide is 296.10 g/mol.
Where can I buy 4-(1,3-benzothiazol-2-yl)-N-phenylbutanamide?
You can request a quote for 4-(1,3-benzothiazol-2-yl)-N-phenylbutanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1,3-benzothiazol-2-yl)-N-phenylbutanamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(1,3-benzothiazol-2-yl)-N-phenylbutanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.