3-(Morpholine-4-carbonyl)isothiochromen-1-one
TL;DR: 3-(Morpholine-4-carbonyl)isothiochromen-1-one (CAS 627487-28-9) is a chemical compound with molecular formula C14H13NO3S and molecular weight 275.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(morpholine-4-carbonyl)isothiochromen-1-one
Also Known As: 3-(morpholine-4-carbonyl)isothiochromen-1-one, IFLab1_006193, 3-(4-morpholinylcarbonyl)-1H-isothiochromen-1-one, 3-(morpholin-4-ylcarbonyl)benzo[c]thiin-1-one, AF-399/42447041
| Molecular Formula | C14H13NO3S |
|---|---|
| Molecular Weight | 275.06 g/mol |
| LogP | 1.7339 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 275.0616 |
| Heavy Atoms | 19 |
| Complexity | 673.69055 |
Chemical Identifiers
| CAS Number | 627487-28-9 |
|---|---|
| SMILES | C1COCCN1C(=O)C2=CC3=CC=CC=C3C(=O)S2 |
Product Overview
3-(Morpholine-4-carbonyl)isothiochromen-1-one (CAS 627487-28-9), with molecular formula C14H13NO3S and molecular weight 275.06 g/mol. IUPAC: 3-(morpholine-4-carbonyl)isothiochromen-1-one.
Chemical Property Profile of 3-(Morpholine-4-carbonyl)isothiochromen-1-one
Property Insights of 3-(Morpholine-4-carbonyl)isothiochromen-1-one
The XLogP value of 1.7339 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Morpholine-4-carbonyl)isothiochromen-1-one. With a topological polar surface area (TPSA) of 46.61 Ų, 3-(Morpholine-4-carbonyl)isothiochromen-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Morpholine-4-carbonyl)isothiochromen-1-one has 0 hydrogen bond donor(s) and 4 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 3-(Morpholine-4-carbonyl)isothiochromen-1-one?
The CAS number of 3-(Morpholine-4-carbonyl)isothiochromen-1-one is 627487-28-9.
What is the molecular formula of 3-(Morpholine-4-carbonyl)isothiochromen-1-one?
The molecular formula of 3-(Morpholine-4-carbonyl)isothiochromen-1-one is C14H13NO3S.
What is the molecular weight of 3-(Morpholine-4-carbonyl)isothiochromen-1-one?
The molecular weight of 3-(Morpholine-4-carbonyl)isothiochromen-1-one is 275.06 g/mol.
Where can I buy 3-(Morpholine-4-carbonyl)isothiochromen-1-one?
You can request a quote for 3-(Morpholine-4-carbonyl)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 3-(Morpholine-4-carbonyl)isothiochromen-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(Morpholine-4-carbonyl)isothiochromen-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.