NCI60_025128
TL;DR: NCI60_025128 (CAS 383136-37-6) is a chemical compound with molecular formula C21H25NO7 and molecular weight 403.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[6-(2-hydroxyethylamino)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl]-2,6-dimethoxyphenol
Also Known As: NCI60_025128, 1H-Pyrrole-2-carboxaldehyde,1-(1H-1,2,4-triazol-5-yl)-, 4-(6-((2-Hydroxyethyl)amino)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)-2,6-dimethoxyphenol, 4-[6-(2-hydroxyethylamino)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl]-2,6-dimethoxy-phenol, 4-[6-(2-hydroxyethylamino)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl]-2,6-dimethoxyphenol
| Molecular Formula | C21H25NO7 |
|---|---|
| Molecular Weight | 403.16 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 98.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 403.16312 |
| Heavy Atoms | 29 |
| Complexity | 523.0 |
Chemical Identifiers
| CAS Number | 383136-37-6 |
|---|---|
| SMILES | CC1C(C2=CC3=C(C=C2OC1NCCO)OCO3)C4=CC(=C(C(=C4)OC)O)OC |
| InChIKey | PLYMCEKNTUNNOM-UHFFFAOYSA-N |
Product Overview
NCI60_025128 (CAS 383136-37-6), with molecular formula C21H25NO7 and molecular weight 403.16 g/mol. IUPAC: 4-[6-(2-hydroxyethylamino)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl]-2,6-dimethoxyphenol.
Chemical Property Profile of NCI60_025128
Property Insights of NCI60_025128
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NCI60_025128. The TPSA of 98.6 Ų falls within the moderate polarity range, balancing permeability and solubility for NCI60_025128. Following Lipinski's Rule of Five, NCI60_025128 has 3 hydrogen bond donor(s) and 8 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_025128?
The CAS number of NCI60_025128 is 383136-37-6.
What is the molecular formula of NCI60_025128?
The molecular formula of NCI60_025128 is C21H25NO7.
What is the molecular weight of NCI60_025128?
The molecular weight of NCI60_025128 is 403.16 g/mol.
Where can I buy NCI60_025128?
You can request a quote for NCI60_025128 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_025128?
Yes, KEHONG BIO provides custom synthesis services for NCI60_025128 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.