3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxo-4H-chromen-7-yl diphenylcarbamate
TL;DR: 3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxo-4H-chromen-7-yl diphenylcarbamate (CAS 637747-48-9) is a chemical compound with molecular formula C31H22N2O4S and molecular weight 518.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxochromen-7-yl] N,N-diphenylcarbamate
Also Known As: (3-benzothiazol-2-yl-6-ethyl-4-oxochromen-7-yloxy)-N,N-dibenzamide, (3-benzothiazol-2-yl-6-ethyl-4-oxo-chromen-7-yl) N,N-diphenylcarbamate, 3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxo-4H-chromen-7-yl diphenylcarbamate, 3-(benzo[d]thiazol-2-yl)-6-ethyl-4-oxo-4H-chromen-7-yl diphenylcarbamate, [3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxochromen-7-yl] N,N-diphenylcarbamate
| Molecular Formula | C31H22N2O4S |
|---|---|
| Molecular Weight | 518.13 g/mol |
| LogP | 7.9692 |
| Topological Polar Surface Area | 72.64 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 518.13 |
| Heavy Atoms | 38 |
| Complexity | 1755.5748 |
Chemical Identifiers
| CAS Number | 637747-48-9 |
|---|---|
| SMILES | CCC1=CC2=C(C=C1OC(=O)N(C3=CC=CC=C3)C4=CC=CC=C4)OC=C(C2=O)C5=NC6=CC=CC=C6S5 |
Product Overview
3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxo-4H-chromen-7-yl diphenylcarbamate (CAS 637747-48-9), with molecular formula C31H22N2O4S and molecular weight 518.13 g/mol. IUPAC: [3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxochromen-7-yl] N,N-diphenylcarbamate.
Chemical Property Profile of 3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxo-4H-chromen-7-yl diphenylcarbamate
Property Insights of 3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxo-4H-chromen-7-yl diphenylcarbamate
The XLogP value of 7.9692 indicates that 3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxo-4H-chromen-7-yl diphenylcarbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.64 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxo-4H-chromen-7-yl diphenylcarbamate. Following Lipinski's Rule of Five, 3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxo-4H-chromen-7-yl diphenylcarbamate 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-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxo-4H-chromen-7-yl diphenylcarbamate?
The CAS number of 3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxo-4H-chromen-7-yl diphenylcarbamate is 637747-48-9.
What is the molecular formula of 3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxo-4H-chromen-7-yl diphenylcarbamate?
The molecular formula of 3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxo-4H-chromen-7-yl diphenylcarbamate is C31H22N2O4S.
What is the molecular weight of 3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxo-4H-chromen-7-yl diphenylcarbamate?
The molecular weight of 3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxo-4H-chromen-7-yl diphenylcarbamate is 518.13 g/mol.
Where can I buy 3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxo-4H-chromen-7-yl diphenylcarbamate?
You can request a quote for 3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxo-4H-chromen-7-yl diphenylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxo-4H-chromen-7-yl diphenylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,3-benzothiazol-2-yl)-6-ethyl-4-oxo-4H-chromen-7-yl diphenylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.