NCI60_003617
TL;DR: NCI60_003617 (CAS 116409-05-3) 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.
7-methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-ol
Also Known As: NCI60_003617, 7,8-Dihydro-7-methyl-8-(3,4,5-trimethoxyphenyl)-6H-1,3-dioxolo(4,5-g)(1)benzopyran-6-ol, 6H-1,3-Dioxolo(4,5-g)(1)benzopyran-6-ol, 7,8-dihydro-7-methyl-8-(3,4,5-trimethoxyphenyl)-, 7,4,5-trimethoxyphenyl)-6H-1,3-dioxolo[4,5-g][1]-benzopyran, 7-methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-ol
| Molecular Formula | C20H22O7 |
|---|---|
| Molecular Weight | 374.14 g/mol |
| LogP | 3.4 |
| 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 | 489.0 |
Chemical Identifiers
| CAS Number | 116409-05-3 |
|---|---|
| SMILES | CC1C(C2=CC3=C(C=C2OC1O)OCO3)C4=CC(=C(C(=C4)OC)OC)OC |
| InChIKey | RBDOZECECGJHSC-UHFFFAOYSA-N |
Product Overview
NCI60_003617 (CAS 116409-05-3), with molecular formula C20H22O7 and molecular weight 374.14 g/mol. IUPAC: 7-methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-ol.
Chemical Property Profile of NCI60_003617
Property Insights of NCI60_003617
The XLogP value of 3.4 indicates that NCI60_003617 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_003617. Following Lipinski's Rule of Five, NCI60_003617 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_003617?
The CAS number of NCI60_003617 is 116409-05-3.
What is the molecular formula of NCI60_003617?
The molecular formula of NCI60_003617 is C20H22O7.
What is the molecular weight of NCI60_003617?
The molecular weight of NCI60_003617 is 374.14 g/mol.
Where can I buy NCI60_003617?
You can request a quote for NCI60_003617 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_003617?
Yes, KEHONG BIO provides custom synthesis services for NCI60_003617 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.