NCI60_004447
TL;DR: NCI60_004447 (CAS 7460-53-9) is a chemical compound with molecular formula C23H26NO5+ and molecular weight 396.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(3,4-dimethoxyphenyl)ethyl]-3,6-dimethyl-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-3-ium-8-one
Also Known As: NCI60_004447, 3-(2-(3,4-dimethoxyphenyl)ethyl)-3,6-dimethyl-3,4-dihydro-2H,8H-35-chromeno[6,7-e][1,3]oxazin-8-one, 3-[2-(3,4-dimethoxyphenyl)ethyl]-3,6-dimethyl-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-3-ium-8-one, 3-[2-(3,4-dimethoxyphenyl)ethyl]-3,6-dimethyl-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-3-ium-8-one;iodide
| Molecular Formula | C23H26NO5+ |
|---|---|
| Molecular Weight | 396.18 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 54.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 396.1811 |
| Heavy Atoms | 29 |
| Complexity | 637.0 |
Chemical Identifiers
| CAS Number | 7460-53-9 |
|---|---|
| SMILES | CC1=CC(=O)OC2=C1C=C3C[N+](COC3=C2)(C)CCC4=CC(=C(C=C4)OC)OC |
| InChIKey | JRZNIBFSAMOQTM-UHFFFAOYSA-N |
Product Overview
NCI60_004447 (CAS 7460-53-9), with molecular formula C23H26NO5+ and molecular weight 396.18 g/mol. IUPAC: 3-[2-(3,4-dimethoxyphenyl)ethyl]-3,6-dimethyl-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-3-ium-8-one.
Chemical Property Profile of NCI60_004447
Property Insights of NCI60_004447
The XLogP value of 3.4 indicates that NCI60_004447 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.0 Ų, NCI60_004447 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, NCI60_004447 has 0 hydrogen bond donor(s) and 5 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_004447?
The CAS number of NCI60_004447 is 7460-53-9.
What is the molecular formula of NCI60_004447?
The molecular formula of NCI60_004447 is C23H26NO5+.
What is the molecular weight of NCI60_004447?
The molecular weight of NCI60_004447 is 396.18 g/mol.
Where can I buy NCI60_004447?
You can request a quote for NCI60_004447 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_004447?
Yes, KEHONG BIO provides custom synthesis services for NCI60_004447 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.