NCI60_003616
TL;DR: NCI60_003616 (CAS 116409-26-8) is a chemical compound with molecular formula C20H22O7 and molecular weight 374.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-ol
Also Known As: NCI60_003616, 6H-1,3-Dioxolo(4,5-g)(1)benzopyran-6-ol, 7,8-dihydro-6-methyl-8-(3,4,5-trimethoxyphenyl)-, 7,8-Dihydro-6-methyl-8-(3,4,5-trimethoxyphenyl)-6H-1,3-dioxolo(4,5-g)(1)benzopyran-6-ol, 6-methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-ol, 6H-1,5-g][1]benzopyran-6-ol, 7,8-dihydro- 6-methyl-8-(3,4,5-trimethoxyphenyl)-
| Molecular Formula | C20H22O7 |
|---|---|
| Molecular Weight | 374.14 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 75.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 374.13657 |
| Heavy Atoms | 27 |
| Complexity | 503.0 |
Chemical Identifiers
| CAS Number | 116409-26-8 |
|---|---|
| SMILES | CC1(CC(C2=CC3=C(C=C2O1)OCO3)C4=CC(=C(C(=C4)OC)OC)OC)O |
| InChIKey | FNMCXUGVHHIANS-UHFFFAOYSA-N |
Product Overview
NCI60_003616 (CAS 116409-26-8), with molecular formula C20H22O7 and molecular weight 374.14 g/mol. IUPAC: 6-methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-ol.
Chemical Property Profile of NCI60_003616
Property Insights of NCI60_003616
The XLogP value of 3.1 indicates that NCI60_003616 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.6 Ų falls within the moderate polarity range, balancing permeability and solubility for NCI60_003616. Following Lipinski's Rule of Five, NCI60_003616 has 1 hydrogen bond donor(s) and 7 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_003616?
The CAS number of NCI60_003616 is 116409-26-8.
What is the molecular formula of NCI60_003616?
The molecular formula of NCI60_003616 is C20H22O7.
What is the molecular weight of NCI60_003616?
The molecular weight of NCI60_003616 is 374.14 g/mol.
Where can I buy NCI60_003616?
You can request a quote for NCI60_003616 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_003616?
Yes, KEHONG BIO provides custom synthesis services for NCI60_003616 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.