3-Benzothiazol-2-yl-2-methyl-4-oxochromen-7-yl 4-chlorobutanoate
TL;DR: 3-Benzothiazol-2-yl-2-methyl-4-oxochromen-7-yl 4-chlorobutanoate (CAS 577963-36-1) is a chemical compound with molecular formula C21H16ClNO4S and molecular weight 413.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(1,3-benzothiazol-2-yl)-2-methyl-4-oxochromen-7-yl] 4-chlorobutanoate
Also Known As: 3-benzothiazol-2-yl-2-methyl-4-oxochromen-7-yl 4-chlorobutanoate, [3-(1,3-benzothiazol-2-yl)-2-methyl-4-oxochromen-7-yl] 4-chlorobutanoate, 3-(benzo[d]thiazol-2-yl)-2-methyl-4-oxo-4H-chromen-7-yl 4-chlorobutanoate, 3-(1,3-benzothiazol-2-yl)-2-methyl-4-oxo-4H-chromen-7-yl 4-chlorobutanoate
| Molecular Formula | C21H16ClNO4S |
|---|---|
| Molecular Weight | 413.05 g/mol |
| LogP | 5.30252 |
| Topological Polar Surface Area | 69.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 413.04886 |
| Heavy Atoms | 28 |
| Complexity | 1211.3506 |
Chemical Identifiers
| CAS Number | 577963-36-1 |
|---|---|
| SMILES | CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)CCCCl)C3=NC4=CC=CC=C4S3 |
Product Overview
3-Benzothiazol-2-yl-2-methyl-4-oxochromen-7-yl 4-chlorobutanoate (CAS 577963-36-1), with molecular formula C21H16ClNO4S and molecular weight 413.05 g/mol. IUPAC: [3-(1,3-benzothiazol-2-yl)-2-methyl-4-oxochromen-7-yl] 4-chlorobutanoate.
Chemical Property Profile of 3-Benzothiazol-2-yl-2-methyl-4-oxochromen-7-yl 4-chlorobutanoate
Property Insights of 3-Benzothiazol-2-yl-2-methyl-4-oxochromen-7-yl 4-chlorobutanoate
The XLogP value of 5.30252 indicates that 3-Benzothiazol-2-yl-2-methyl-4-oxochromen-7-yl 4-chlorobutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Benzothiazol-2-yl-2-methyl-4-oxochromen-7-yl 4-chlorobutanoate. Following Lipinski's Rule of Five, 3-Benzothiazol-2-yl-2-methyl-4-oxochromen-7-yl 4-chlorobutanoate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Benzothiazol-2-yl-2-methyl-4-oxochromen-7-yl 4-chlorobutanoate?
The CAS number of 3-Benzothiazol-2-yl-2-methyl-4-oxochromen-7-yl 4-chlorobutanoate is 577963-36-1.
What is the molecular formula of 3-Benzothiazol-2-yl-2-methyl-4-oxochromen-7-yl 4-chlorobutanoate?
The molecular formula of 3-Benzothiazol-2-yl-2-methyl-4-oxochromen-7-yl 4-chlorobutanoate is C21H16ClNO4S.
What is the molecular weight of 3-Benzothiazol-2-yl-2-methyl-4-oxochromen-7-yl 4-chlorobutanoate?
The molecular weight of 3-Benzothiazol-2-yl-2-methyl-4-oxochromen-7-yl 4-chlorobutanoate is 413.05 g/mol.
Where can I buy 3-Benzothiazol-2-yl-2-methyl-4-oxochromen-7-yl 4-chlorobutanoate?
You can request a quote for 3-Benzothiazol-2-yl-2-methyl-4-oxochromen-7-yl 4-chlorobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Benzothiazol-2-yl-2-methyl-4-oxochromen-7-yl 4-chlorobutanoate?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzothiazol-2-yl-2-methyl-4-oxochromen-7-yl 4-chlorobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.