NCI60_012597
TL;DR: NCI60_012597 (CAS 52978-90-2) is a chemical compound with molecular formula C19H16O2 and molecular weight 276.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylidenespiro[oxolane-5,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-2-one
Also Known As: NCI60_012597, 3-Methylene-6,7:10,11-dibenz-1-oxaspiro(4.6)undecan-2-one, Spiro(5H-dibenzo(a,d)cycloheptene-5,2'(5'H)-furan)-5'-one, 3',4',10,11-tetrahydro-4'-methylene-, 3'-methylenespiro[5,6-dihydrodibenzo[[?],[?]][7]annulene-11,5'-tetrahydrofuran]-2'-one, 4'-Methylidene-10,11-dihydrospiro[dibenzo[a,d][7]annulene-5,2'-oxolan]-5'-one
| Molecular Formula | C19H16O2 |
|---|---|
| Molecular Weight | 276.12 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 276.11502 |
| Heavy Atoms | 21 |
| Complexity | 428.0 |
Chemical Identifiers
| CAS Number | 52978-90-2 |
|---|---|
| SMILES | C=C1CC2(C3=CC=CC=C3CCC4=CC=CC=C42)OC1=O |
| InChIKey | GHIMMECAKCIHTG-UHFFFAOYSA-N |
Product Overview
NCI60_012597 (CAS 52978-90-2), with molecular formula C19H16O2 and molecular weight 276.12 g/mol. IUPAC: 3-methylidenespiro[oxolane-5,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-2-one.
Chemical Property Profile of NCI60_012597
Property Insights of NCI60_012597
The XLogP value of 4.1 indicates that NCI60_012597 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, NCI60_012597 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, NCI60_012597 has 0 hydrogen bond donor(s) and 2 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_012597?
The CAS number of NCI60_012597 is 52978-90-2.
What is the molecular formula of NCI60_012597?
The molecular formula of NCI60_012597 is C19H16O2.
What is the molecular weight of NCI60_012597?
The molecular weight of NCI60_012597 is 276.12 g/mol.
Where can I buy NCI60_012597?
You can request a quote for NCI60_012597 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_012597?
Yes, KEHONG BIO provides custom synthesis services for NCI60_012597 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.