NCI60_003418
TL;DR: NCI60_003418 (CAS 116409-20-2) is a chemical compound with molecular formula C25H31NO6 and molecular weight 441.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[6,7-dimethyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrolidine
Also Known As: NCI60_003418, 1-(7,8-Dihydro-6,7-dimethyl-8-(3,4,5-trimethoxyphenyl)-6H-1,3-dioxolo(4,5-g)(1)benzopyran-6-yl)pyrrolidine, Pyrrolidine, 1-(7,8-dihydro-6,7-dimethyl-8-(3,4,5-trimethoxyphenyl)-6H-1,3-dioxolo(4,5-g)(1)benzopyran-6-yl)-, 1-(6,7-DI-ME-8-(3,4,5-TRI-MEO-PH)-6H-(1,3)DIOXOLO(4,5-G)CHROMEN-YL)-PYRROLIDINE, 1-[11,12-dimethyl-13-(3,4,5-trimethoxyphenyl)-4,6,10-trioxatricyclo[7.4.0.0^{3,7}]trideca-1,3(7),8-trien-11-yl]pyrrolidine
| Molecular Formula | C25H31NO6 |
|---|---|
| Molecular Weight | 441.22 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 58.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 441.21515 |
| Heavy Atoms | 32 |
| Complexity | 630.0 |
Chemical Identifiers
| CAS Number | 116409-20-2 |
|---|---|
| SMILES | CC1C(C2=CC3=C(C=C2OC1(C)N4CCCC4)OCO3)C5=CC(=C(C(=C5)OC)OC)OC |
| InChIKey | SMDGYUXIZWCCHF-UHFFFAOYSA-N |
Product Overview
NCI60_003418 (CAS 116409-20-2), with molecular formula C25H31NO6 and molecular weight 441.22 g/mol. IUPAC: 1-[6,7-dimethyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrolidine.
Chemical Property Profile of NCI60_003418
Property Insights of NCI60_003418
The XLogP value of 4.8 indicates that NCI60_003418 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.6 Ų, NCI60_003418 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, NCI60_003418 has 0 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_003418?
The CAS number of NCI60_003418 is 116409-20-2.
What is the molecular formula of NCI60_003418?
The molecular formula of NCI60_003418 is C25H31NO6.
What is the molecular weight of NCI60_003418?
The molecular weight of NCI60_003418 is 441.22 g/mol.
Where can I buy NCI60_003418?
You can request a quote for NCI60_003418 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_003418?
Yes, KEHONG BIO provides custom synthesis services for NCI60_003418 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.