NCI60_003525
TL;DR: NCI60_003525 (CAS 116408-96-9) is a chemical compound with molecular formula C22H25NO5 and molecular weight 383.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methoxy-6-(6-methyl-6-pyrrolidin-1-yl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-8-yl)phenol
Also Known As: NCI60_003525, 2-(7,8-Dihydro-6-methyl-6-(1-pyrrolidinyl)-6H-1,3-dioxolo(4,5-g)(1)benzopyran-8-yl)-6-methoxyphenol, Phenol, 2-(7,8-dihydro-6-methyl-6-(1-pyrrolidinyl)-6H-1,3-dioxolo(4,5-g)(1)benzopyran-8-yl)-6-methoxy-, 2-MEO-6-(6-ME-6-PYRROLIDIN-1-YL-2H-6H-(1,3)DIOXOLO(4,5-G)CHROMEN-8-YL)-PHENOL, 2-methoxy-6-(6-methyl-6-pyrrolidin-1-yl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-8-yl)phenol
| Molecular Formula | C22H25NO5 |
|---|---|
| Molecular Weight | 383.17 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 60.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 383.17328 |
| Heavy Atoms | 28 |
| Complexity | 555.0 |
Chemical Identifiers
| CAS Number | 116408-96-9 |
|---|---|
| SMILES | CC1(CC(C2=CC3=C(C=C2O1)OCO3)C4=C(C(=CC=C4)OC)O)N5CCCC5 |
| InChIKey | CRSJWEZUGYNWDK-UHFFFAOYSA-N |
Product Overview
NCI60_003525 (CAS 116408-96-9), with molecular formula C22H25NO5 and molecular weight 383.17 g/mol. IUPAC: 2-methoxy-6-(6-methyl-6-pyrrolidin-1-yl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-8-yl)phenol.
Chemical Property Profile of NCI60_003525
Property Insights of NCI60_003525
The XLogP value of 4.0 indicates that NCI60_003525 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.4 Ų falls within the moderate polarity range, balancing permeability and solubility for NCI60_003525. Following Lipinski's Rule of Five, NCI60_003525 has 1 hydrogen bond donor(s) and 6 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_003525?
The CAS number of NCI60_003525 is 116408-96-9.
What is the molecular formula of NCI60_003525?
The molecular formula of NCI60_003525 is C22H25NO5.
What is the molecular weight of NCI60_003525?
The molecular weight of NCI60_003525 is 383.17 g/mol.
Where can I buy NCI60_003525?
You can request a quote for NCI60_003525 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_003525?
Yes, KEHONG BIO provides custom synthesis services for NCI60_003525 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.