![ethyl 4-{[(7,8-dimethoxy-1-oxo-1H-isothiochromen-3-yl)carbonyl]amino}benzoate structure](/static/products/6223/622352-67-4.webp)
ethyl 4-{[(7,8-dimethoxy-1-oxo-1H-isothiochromen-3-yl)carbonyl]amino}benzoate
TL;DR: ethyl 4-{[(7,8-dimethoxy-1-oxo-1H-isothiochromen-3-yl)carbonyl]amino}benzoate (CAS 622352-67-4) is a chemical compound with molecular formula C21H19NO6S and molecular weight 413.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(7,8-dimethoxy-1-oxoisothiochromene-3-carbonyl)amino]benzoate
Also Known As: ethyl 4-{[(7,8-dimethoxy-1-oxo-1H-isothiochromen-3-yl)carbonyl]amino}benzoate, ETHYL 4-(7,8-DIMETHOXY-1-OXO-1H-ISOTHIOCHROMENE-3-AMIDO)BENZOATE, ethyl 4-(7,8-dimethoxy-1-oxo-1H-isothiochromene-3-carboxamido)benzoate, ethyl 4-[(7,8-dimethoxy-1-oxobenzo[d]thiin-3-yl)carbonylamino]benzoate, ethyl 4-[(7,8-dimethoxy-1-oxoisothiochromene-3-carbonyl)amino]benzoate
| Molecular Formula | C21H19NO6S |
|---|---|
| Molecular Weight | 413.09 g/mol |
| LogP | 3.7077 |
| Topological Polar Surface Area | 90.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 413.09332 |
| Heavy Atoms | 29 |
| Complexity | 1120.4597 |
Chemical Identifiers
| CAS Number | 622352-67-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC3=C(C(=C(C=C3)OC)OC)C(=O)S2 |
Product Overview
ethyl 4-{[(7,8-dimethoxy-1-oxo-1H-isothiochromen-3-yl)carbonyl]amino}benzoate (CAS 622352-67-4), with molecular formula C21H19NO6S and molecular weight 413.09 g/mol. IUPAC: ethyl 4-[(7,8-dimethoxy-1-oxoisothiochromene-3-carbonyl)amino]benzoate.
Chemical Property Profile of ethyl 4-{[(7,8-dimethoxy-1-oxo-1H-isothiochromen-3-yl)carbonyl]amino}benzoate
Property Insights of ethyl 4-{[(7,8-dimethoxy-1-oxo-1H-isothiochromen-3-yl)carbonyl]amino}benzoate
The XLogP value of 3.7077 indicates that ethyl 4-{[(7,8-dimethoxy-1-oxo-1H-isothiochromen-3-yl)carbonyl]amino}benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.93 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-{[(7,8-dimethoxy-1-oxo-1H-isothiochromen-3-yl)carbonyl]amino}benzoate. Following Lipinski's Rule of Five, ethyl 4-{[(7,8-dimethoxy-1-oxo-1H-isothiochromen-3-yl)carbonyl]amino}benzoate has 1 hydrogen bond donor(s) and 7 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 ethyl 4-{[(7,8-dimethoxy-1-oxo-1H-isothiochromen-3-yl)carbonyl]amino}benzoate?
The CAS number of ethyl 4-{[(7,8-dimethoxy-1-oxo-1H-isothiochromen-3-yl)carbonyl]amino}benzoate is 622352-67-4.
What is the molecular formula of ethyl 4-{[(7,8-dimethoxy-1-oxo-1H-isothiochromen-3-yl)carbonyl]amino}benzoate?
The molecular formula of ethyl 4-{[(7,8-dimethoxy-1-oxo-1H-isothiochromen-3-yl)carbonyl]amino}benzoate is C21H19NO6S.
What is the molecular weight of ethyl 4-{[(7,8-dimethoxy-1-oxo-1H-isothiochromen-3-yl)carbonyl]amino}benzoate?
The molecular weight of ethyl 4-{[(7,8-dimethoxy-1-oxo-1H-isothiochromen-3-yl)carbonyl]amino}benzoate is 413.09 g/mol.
Where can I buy ethyl 4-{[(7,8-dimethoxy-1-oxo-1H-isothiochromen-3-yl)carbonyl]amino}benzoate?
You can request a quote for ethyl 4-{[(7,8-dimethoxy-1-oxo-1H-isothiochromen-3-yl)carbonyl]amino}benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-{[(7,8-dimethoxy-1-oxo-1H-isothiochromen-3-yl)carbonyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-{[(7,8-dimethoxy-1-oxo-1H-isothiochromen-3-yl)carbonyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.