7,8-dimethoxy-3-(4-morpholinylcarbonyl)-1H-isothiochromen-1-one
TL;DR: 7,8-dimethoxy-3-(4-morpholinylcarbonyl)-1H-isothiochromen-1-one (CAS 627487-22-3) is a chemical compound with molecular formula C16H17NO5S and molecular weight 335.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7,8-dimethoxy-3-(morpholine-4-carbonyl)isothiochromen-1-one
Also Known As: IFLab1_006149, 7,8-dimethoxy-3-(4-morpholinylcarbonyl)-1H-isothiochromen-1-one, 7,8-dimethoxy-3-(morpholine-4-carbonyl)isothiochromen-1-one, 7,8-dimethoxy-3-(morpholine-4-carbonyl)-1H-isothiochromen-1-one, 7,8-dimethoxy-3-(morpholin-4-ylcarbonyl)-1H-isothiochromen-1-one
| Molecular Formula | C16H17NO5S |
|---|---|
| Molecular Weight | 335.08 g/mol |
| LogP | 1.7511 |
| Topological Polar Surface Area | 65.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 335.08273 |
| Heavy Atoms | 23 |
| Complexity | 794.8926 |
Chemical Identifiers
| CAS Number | 627487-22-3 |
|---|---|
| SMILES | COC1=C(C2=C(C=C1)C=C(SC2=O)C(=O)N3CCOCC3)OC |
Product Overview
7,8-dimethoxy-3-(4-morpholinylcarbonyl)-1H-isothiochromen-1-one (CAS 627487-22-3), with molecular formula C16H17NO5S and molecular weight 335.08 g/mol. IUPAC: 7,8-dimethoxy-3-(morpholine-4-carbonyl)isothiochromen-1-one.
Chemical Property Profile of 7,8-dimethoxy-3-(4-morpholinylcarbonyl)-1H-isothiochromen-1-one
Property Insights of 7,8-dimethoxy-3-(4-morpholinylcarbonyl)-1H-isothiochromen-1-one
The XLogP value of 1.7511 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7,8-dimethoxy-3-(4-morpholinylcarbonyl)-1H-isothiochromen-1-one. The TPSA of 65.07 Ų falls within the moderate polarity range, balancing permeability and solubility for 7,8-dimethoxy-3-(4-morpholinylcarbonyl)-1H-isothiochromen-1-one. Following Lipinski's Rule of Five, 7,8-dimethoxy-3-(4-morpholinylcarbonyl)-1H-isothiochromen-1-one has 0 hydrogen bond donor(s) and 6 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 7,8-dimethoxy-3-(4-morpholinylcarbonyl)-1H-isothiochromen-1-one?
The CAS number of 7,8-dimethoxy-3-(4-morpholinylcarbonyl)-1H-isothiochromen-1-one is 627487-22-3.
What is the molecular formula of 7,8-dimethoxy-3-(4-morpholinylcarbonyl)-1H-isothiochromen-1-one?
The molecular formula of 7,8-dimethoxy-3-(4-morpholinylcarbonyl)-1H-isothiochromen-1-one is C16H17NO5S.
What is the molecular weight of 7,8-dimethoxy-3-(4-morpholinylcarbonyl)-1H-isothiochromen-1-one?
The molecular weight of 7,8-dimethoxy-3-(4-morpholinylcarbonyl)-1H-isothiochromen-1-one is 335.08 g/mol.
Where can I buy 7,8-dimethoxy-3-(4-morpholinylcarbonyl)-1H-isothiochromen-1-one?
You can request a quote for 7,8-dimethoxy-3-(4-morpholinylcarbonyl)-1H-isothiochromen-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7,8-dimethoxy-3-(4-morpholinylcarbonyl)-1H-isothiochromen-1-one?
Yes, KEHONG BIO provides custom synthesis services for 7,8-dimethoxy-3-(4-morpholinylcarbonyl)-1H-isothiochromen-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.