NCI60_022549
TL;DR: NCI60_022549 (CAS 102395-45-9) is a chemical compound with molecular formula C24H29N3O3 and molecular weight 407.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-3-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
Also Known As: NCI60_022549, 1,3,8-Triazaspiro(4.5)decan-4-one, 8-(2-(1,4-benzodioxan-2-yl)ethyl)-3-methyl-1-phenyl-, 8-(2-(1,4-Benzodioxanyl-2)ethyl)-3-methyl-4-oxo-1-phenyl-1,3,8-triazaspiro(4.5)decane, 8-(2-(2,3-Dihydro-1,4-benzodioxin-2-yl)ethyl)-3-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one, 8-[2-(2,3-Dihydro-1,4-benzodioxin-2-yl)ethyl]-3-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
| Molecular Formula | C24H29N3O3 |
|---|---|
| Molecular Weight | 407.22 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 45.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 407.2209 |
| Heavy Atoms | 30 |
| Complexity | 601.0 |
Chemical Identifiers
| CAS Number | 102395-45-9 |
|---|---|
| SMILES | CN1CN(C2(C1=O)CCN(CC2)CCC3COC4=CC=CC=C4O3)C5=CC=CC=C5 |
| InChIKey | VTJGTOAUDCODNK-UHFFFAOYSA-N |
Product Overview
NCI60_022549 (CAS 102395-45-9), with molecular formula C24H29N3O3 and molecular weight 407.22 g/mol. IUPAC: 8-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]-3-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.
Chemical Property Profile of NCI60_022549
Property Insights of NCI60_022549
The XLogP value of 3.7 indicates that NCI60_022549 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.3 Ų, NCI60_022549 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, NCI60_022549 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_022549?
The CAS number of NCI60_022549 is 102395-45-9.
What is the molecular formula of NCI60_022549?
The molecular formula of NCI60_022549 is C24H29N3O3.
What is the molecular weight of NCI60_022549?
The molecular weight of NCI60_022549 is 407.22 g/mol.
Where can I buy NCI60_022549?
You can request a quote for NCI60_022549 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_022549?
Yes, KEHONG BIO provides custom synthesis services for NCI60_022549 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.