NCI60_003522
TL;DR: NCI60_003522 (CAS 116409-04-2) is a chemical compound with molecular formula C24H29NO6 and molecular weight 427.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[7-methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrolidine
Also Known As: NCI60_003522, 1-(7,8-Dihydro-7-methyl-8-(3,4,5-trimethoxyphenyl)-6H-1,3-dioxolo(4,5-g)(1)benzopyran-6-yl)pyrrolidine, Pyrrolidine, 1-(7,8-dihydro-7-methyl-8-(3,4,5-trimethoxyphenyl)-6H-1,3-dioxolo(4,5-g)(1)benzopyran-6-yl)-, 1-[7,4,5-trimethoxyphenyl)-6H-1,3-dioxolo[4,5-g][1]benzopyran-6-yl]pyrollidine, 1-[7-Methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-2H,6H-[1,3]dioxolo[4,5-g][1]benzopyran-6-yl]pyrrolidine
| Molecular Formula | C24H29NO6 |
|---|---|
| Molecular Weight | 427.20 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 58.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 427.1995 |
| Heavy Atoms | 31 |
| Complexity | 587.0 |
Chemical Identifiers
| CAS Number | 116409-04-2 |
|---|---|
| SMILES | CC1C(C2=CC3=C(C=C2OC1N4CCCC4)OCO3)C5=CC(=C(C(=C5)OC)OC)OC |
| InChIKey | LRLXUQCQYHLPOQ-UHFFFAOYSA-N |
Product Overview
NCI60_003522 (CAS 116409-04-2), with molecular formula C24H29NO6 and molecular weight 427.20 g/mol. IUPAC: 1-[7-methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrolidine.
Chemical Property Profile of NCI60_003522
Property Insights of NCI60_003522
The XLogP value of 4.6 indicates that NCI60_003522 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_003522 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, NCI60_003522 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_003522?
The CAS number of NCI60_003522 is 116409-04-2.
What is the molecular formula of NCI60_003522?
The molecular formula of NCI60_003522 is C24H29NO6.
What is the molecular weight of NCI60_003522?
The molecular weight of NCI60_003522 is 427.20 g/mol.
Where can I buy NCI60_003522?
You can request a quote for NCI60_003522 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_003522?
Yes, KEHONG BIO provides custom synthesis services for NCI60_003522 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.