3-(2-(azepan-1-yl)ethyl)-6-propylbenzo(d)thiazol-2(3H)-one
TL;DR: 3-(2-(azepan-1-yl)ethyl)-6-propylbenzo(d)thiazol-2(3H)-one (CAS 876953-20-7) is a chemical compound with molecular formula C18H26N2OS and molecular weight 318.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(azepan-1-yl)ethyl]-6-propyl-1,3-benzothiazol-2-one
Also Known As: 3-[2-(AZEPAN-1-YL)ETHYL]-6-PROPYL-1,3-BENZOTHIAZOL-2-ONE, 3-[2-(azepan-1-yl)ethyl]-6-propyl-benzothiazol-2-one, 3-(2-(azepan-1-yl)ethyl)-6-propylbenzo(d)thiazol-2(3H)-one, 3-[2-(azepan-1-yl)ethyl]-6-propylbenzo[d]thiazol-2(3h)-one, 3-[2-(Azepan-1-yl)ethyl]-6-propyl-1,3-benzothiazol-2(3H)-one
| Molecular Formula | C18H26N2OS |
|---|---|
| Molecular Weight | 318.18 g/mol |
| LogP | 3.8915 |
| Topological Polar Surface Area | 25.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 318.17657 |
| Heavy Atoms | 22 |
| Complexity | 665.2673 |
Chemical Identifiers
| CAS Number | 876953-20-7 |
|---|---|
| SMILES | CCCC1=CC2=C(C=C1)N(C(=O)S2)CCN3CCCCCC3 |
Product Overview
3-(2-(azepan-1-yl)ethyl)-6-propylbenzo(d)thiazol-2(3H)-one (CAS 876953-20-7), with molecular formula C18H26N2OS and molecular weight 318.18 g/mol. IUPAC: 3-[2-(azepan-1-yl)ethyl]-6-propyl-1,3-benzothiazol-2-one.
Chemical Property Profile of 3-(2-(azepan-1-yl)ethyl)-6-propylbenzo(d)thiazol-2(3H)-one
Property Insights of 3-(2-(azepan-1-yl)ethyl)-6-propylbenzo(d)thiazol-2(3H)-one
The XLogP value of 3.8915 indicates that 3-(2-(azepan-1-yl)ethyl)-6-propylbenzo(d)thiazol-2(3H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.24 Ų, 3-(2-(azepan-1-yl)ethyl)-6-propylbenzo(d)thiazol-2(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-(azepan-1-yl)ethyl)-6-propylbenzo(d)thiazol-2(3H)-one has 0 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 3-(2-(azepan-1-yl)ethyl)-6-propylbenzo(d)thiazol-2(3H)-one?
The CAS number of 3-(2-(azepan-1-yl)ethyl)-6-propylbenzo(d)thiazol-2(3H)-one is 876953-20-7.
What is the molecular formula of 3-(2-(azepan-1-yl)ethyl)-6-propylbenzo(d)thiazol-2(3H)-one?
The molecular formula of 3-(2-(azepan-1-yl)ethyl)-6-propylbenzo(d)thiazol-2(3H)-one is C18H26N2OS.
What is the molecular weight of 3-(2-(azepan-1-yl)ethyl)-6-propylbenzo(d)thiazol-2(3H)-one?
The molecular weight of 3-(2-(azepan-1-yl)ethyl)-6-propylbenzo(d)thiazol-2(3H)-one is 318.18 g/mol.
Where can I buy 3-(2-(azepan-1-yl)ethyl)-6-propylbenzo(d)thiazol-2(3H)-one?
You can request a quote for 3-(2-(azepan-1-yl)ethyl)-6-propylbenzo(d)thiazol-2(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-(azepan-1-yl)ethyl)-6-propylbenzo(d)thiazol-2(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-(azepan-1-yl)ethyl)-6-propylbenzo(d)thiazol-2(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.