NCI60_002342
TL;DR: NCI60_002342 (CAS 63159-39-7) is a chemical compound with molecular formula C13H12O4S and molecular weight 264.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3'-methylidene-1,1-dioxospiro[2,3-dihydrothiochromene-4,5'-oxolane]-2'-one
Also Known As: NCI60_002342, Spiro(4H-1-benzothiopyran-4,2'(5'H)-furan)-5'-one, 2,3,3',4'-tetrahydro-4'-methylene-, 1,1-dioxide, 3'-methylidene-1,1-dioxospiro[2,3-dihydrothiochromene-4,5'-o, 3'-methylene-1,1-dioxo-spiro[2,3-dihydrothiochromene-4,5'-tetrahydrofuran]-2'-one, 3'-methylidene-1,1-dioxospiro[2,3-dihydrothiochromene-4,5'-oxolane]-2'-one
| Molecular Formula | C13H12O4S |
|---|---|
| Molecular Weight | 264.05 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 68.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 264.04562 |
| Heavy Atoms | 18 |
| Complexity | 502.0 |
Chemical Identifiers
| CAS Number | 63159-39-7 |
|---|---|
| SMILES | C=C1CC2(CCS(=O)(=O)C3=CC=CC=C32)OC1=O |
| InChIKey | AHRMDTRMXQLGQT-UHFFFAOYSA-N |
Product Overview
NCI60_002342 (CAS 63159-39-7), with molecular formula C13H12O4S and molecular weight 264.05 g/mol. IUPAC: 3'-methylidene-1,1-dioxospiro[2,3-dihydrothiochromene-4,5'-oxolane]-2'-one.
Chemical Property Profile of NCI60_002342
Property Insights of NCI60_002342
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NCI60_002342. The TPSA of 68.8 Ų falls within the moderate polarity range, balancing permeability and solubility for NCI60_002342. Following Lipinski's Rule of Five, NCI60_002342 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 NCI60_002342?
The CAS number of NCI60_002342 is 63159-39-7.
What is the molecular formula of NCI60_002342?
The molecular formula of NCI60_002342 is C13H12O4S.
What is the molecular weight of NCI60_002342?
The molecular weight of NCI60_002342 is 264.05 g/mol.
Where can I buy NCI60_002342?
You can request a quote for NCI60_002342 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_002342?
Yes, KEHONG BIO provides custom synthesis services for NCI60_002342 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.