3-(2-Benzothiazolyl)-7-octadecyloxycoumarin
TL;DR: 3-(2-Benzothiazolyl)-7-octadecyloxycoumarin (CAS 161992-82-1) is a chemical compound with molecular formula C34H45NO3S and molecular weight 547.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzothiazol-2-yl)-7-octadecoxychromen-2-one
Also Known As: 3-(2-BENZOTHIAZOLYL)-7-OCTADECYLOXYCOUMARIN, 3-(1,3-benzothiazol-2-yl)-7-octadecoxychromen-2-one, 3-(2-Benzothiazolyl)-7-(octadecyloxy)coumarin, 3-benzothiazol-2-yl-7-octadecoxy-chromen-2-one, 3-(Benzothiazole-2-yl)-7-(octadecyloxy)coumarin
| Molecular Formula | C34H45NO3S |
|---|---|
| Molecular Weight | 547.31 g/mol |
| LogP | 10.71 |
| Topological Polar Surface Area | 52.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 19 |
| Exact Mass | 547.312 |
| Heavy Atoms | 39 |
| Complexity | 1292.0223 |
Chemical Identifiers
| CAS Number | 161992-82-1 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCOC1=CC2=C(C=C1)C=C(C(=O)O2)C3=NC4=CC=CC=C4S3 |
Product Overview
3-(2-Benzothiazolyl)-7-octadecyloxycoumarin (CAS 161992-82-1), with molecular formula C34H45NO3S and molecular weight 547.31 g/mol. IUPAC: 3-(1,3-benzothiazol-2-yl)-7-octadecoxychromen-2-one.
Chemical Property Profile of 3-(2-Benzothiazolyl)-7-octadecyloxycoumarin
Property Insights of 3-(2-Benzothiazolyl)-7-octadecyloxycoumarin
The XLogP value of 10.71 indicates that 3-(2-Benzothiazolyl)-7-octadecyloxycoumarin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.33 Ų, 3-(2-Benzothiazolyl)-7-octadecyloxycoumarin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-Benzothiazolyl)-7-octadecyloxycoumarin has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(2-Benzothiazolyl)-7-octadecyloxycoumarin?
The CAS number of 3-(2-Benzothiazolyl)-7-octadecyloxycoumarin is 161992-82-1.
What is the molecular formula of 3-(2-Benzothiazolyl)-7-octadecyloxycoumarin?
The molecular formula of 3-(2-Benzothiazolyl)-7-octadecyloxycoumarin is C34H45NO3S.
What is the molecular weight of 3-(2-Benzothiazolyl)-7-octadecyloxycoumarin?
The molecular weight of 3-(2-Benzothiazolyl)-7-octadecyloxycoumarin is 547.31 g/mol.
Where can I buy 3-(2-Benzothiazolyl)-7-octadecyloxycoumarin?
You can request a quote for 3-(2-Benzothiazolyl)-7-octadecyloxycoumarin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Benzothiazolyl)-7-octadecyloxycoumarin?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Benzothiazolyl)-7-octadecyloxycoumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.