3-(1,2,3-thiadiazol-4-yl)-2H-chromen-2-one
TL;DR: 3-(1,2,3-thiadiazol-4-yl)-2H-chromen-2-one (CAS 215811-73-7) is a chemical compound with molecular formula C11H6N2O2S and molecular weight 230.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(thiadiazol-4-yl)chromen-2-one
Also Known As: 3-(thiadiazol-4-yl)chromen-2-one, 3-(1,2,3-thiadiazol-4-yl)-2H-chromen-2-one, 3-(1,2,3-Thiadiazole-4-yl)coumarin, 2H-1-Benzopyran-2-one, 3-(1,2,3-thiadiazol-4-yl)-, J1.018.649H
| Molecular Formula | C11H6N2O2S |
|---|---|
| Molecular Weight | 230.01 g/mol |
| LogP | 2.3115 |
| Topological Polar Surface Area | 55.99 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 230.015 |
| Heavy Atoms | 16 |
| Complexity | 688.526 |
Chemical Identifiers
| CAS Number | 215811-73-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CSN=N3 |
Product Overview
3-(1,2,3-thiadiazol-4-yl)-2H-chromen-2-one (CAS 215811-73-7), with molecular formula C11H6N2O2S and molecular weight 230.01 g/mol. IUPAC: 3-(thiadiazol-4-yl)chromen-2-one.
Chemical Property Profile of 3-(1,2,3-thiadiazol-4-yl)-2H-chromen-2-one
Property Insights of 3-(1,2,3-thiadiazol-4-yl)-2H-chromen-2-one
The XLogP value of 2.3115 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1,2,3-thiadiazol-4-yl)-2H-chromen-2-one. With a topological polar surface area (TPSA) of 55.99 Ų, 3-(1,2,3-thiadiazol-4-yl)-2H-chromen-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1,2,3-thiadiazol-4-yl)-2H-chromen-2-one has 0 hydrogen bond donor(s) and 5 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-(1,2,3-thiadiazol-4-yl)-2H-chromen-2-one?
The CAS number of 3-(1,2,3-thiadiazol-4-yl)-2H-chromen-2-one is 215811-73-7.
What is the molecular formula of 3-(1,2,3-thiadiazol-4-yl)-2H-chromen-2-one?
The molecular formula of 3-(1,2,3-thiadiazol-4-yl)-2H-chromen-2-one is C11H6N2O2S.
What is the molecular weight of 3-(1,2,3-thiadiazol-4-yl)-2H-chromen-2-one?
The molecular weight of 3-(1,2,3-thiadiazol-4-yl)-2H-chromen-2-one is 230.01 g/mol.
Where can I buy 3-(1,2,3-thiadiazol-4-yl)-2H-chromen-2-one?
You can request a quote for 3-(1,2,3-thiadiazol-4-yl)-2H-chromen-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(1,2,3-thiadiazol-4-yl)-2H-chromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,2,3-thiadiazol-4-yl)-2H-chromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.