CDS1_004861
TL;DR: CDS1_004861 (CAS 462113-59-3) is a chemical compound with molecular formula C17H25NO2 and molecular weight 275.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(1R,6R,8S)-spiro[11-oxa-3-azatricyclo[6.2.1.01,6]undec-9-ene-4,1'-cycloheptane]-3-yl]ethanone
Also Known As: CDS1_004861, 1-((4aR,6S,8aR)-4,4a,5,6-tetrahydrospiro[6,8a-epoxyisoquinoline-3,1'-cycloheptan]-2(1H)-yl)ethanone, 1-[(4a'R,6'S,8a'R)-4',4a',5',6'-tetrahydrospiro[cycloheptane-1,3'-[9]oxa[2]aza[6,8a]epoxyisoquinolin]-2'(1'H)-yl]ethanone
| Molecular Formula | C17H25NO2 |
|---|---|
| Molecular Weight | 275.19 g/mol |
| LogP | 3.0453 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 275.18854 |
| Heavy Atoms | 20 |
| Complexity | 449.90637 |
Chemical Identifiers
| CAS Number | 462113-59-3 |
|---|---|
| SMILES | CC(=O)N1C[C@@]23C=C[C@@H](O2)C[C@H]3CC14CCCCCC4 |
Product Overview
CDS1_004861 (CAS 462113-59-3), with molecular formula C17H25NO2 and molecular weight 275.19 g/mol. IUPAC: 1-[(1R,6R,8S)-spiro[11-oxa-3-azatricyclo[6.2.1.01,6]undec-9-ene-4,1'-cycloheptane]-3-yl]ethanone.
Chemical Property Profile of CDS1_004861
Property Insights of CDS1_004861
The XLogP value of 3.0453 indicates that CDS1_004861 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.54 Ų, CDS1_004861 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, CDS1_004861 has 0 hydrogen bond donor(s) and 2 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 CDS1_004861?
The CAS number of CDS1_004861 is 462113-59-3.
What is the molecular formula of CDS1_004861?
The molecular formula of CDS1_004861 is C17H25NO2.
What is the molecular weight of CDS1_004861?
The molecular weight of CDS1_004861 is 275.19 g/mol.
Where can I buy CDS1_004861?
You can request a quote for CDS1_004861 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CDS1_004861?
Yes, KEHONG BIO provides custom synthesis services for CDS1_004861 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.