奥昔托隆
TL;DR: 奥昔托隆 (CAS 26020-55-3) is a chemical compound with molecular formula C21H21NO2 and molecular weight 319.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
奥昔托隆
3-(12H-[1]benzofuro[3,2-c][1]benzoxepin-6-ylidene)-N,N-dimethylpropan-1-amine
Also Known As: OXETORONE, Oxetorona, Oxetoronum, Oxetorone [INN], Oxetoronum [INN-Latin]
| Molecular Formula | C21H21NO2 |
|---|---|
| Molecular Weight | 319.16 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 25.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 319.15723 |
| Heavy Atoms | 24 |
| Complexity | 461.0 |
Chemical Identifiers
| CAS Number | 26020-55-3 |
|---|---|
| SMILES | CN(C)CCC=C1C2=CC=CC=C2OCC3=C1OC4=CC=CC=C34 |
| InChIKey | VZVRZTZPHOHSCK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
奥昔托隆 (CAS 26020-55-3), with molecular formula C21H21NO2 and molecular weight 319.16 g/mol. IUPAC: 3-(12H-[1]benzofuro[3,2-c][1]benzoxepin-6-ylidene)-N,N-dimethylpropan-1-amine.
Chemical Property Profile of 奥昔托隆
Property Insights of 奥昔托隆
The XLogP value of 4.1 indicates that 奥昔托隆 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.6 Ų, 奥昔托隆 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 奥昔托隆 has 0 hydrogen bond donor(s) and 3 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 奥昔托隆?
The CAS number of 奥昔托隆 is 26020-55-3.
What is the molecular formula of 奥昔托隆?
The molecular formula of 奥昔托隆 is C21H21NO2.
What is the molecular weight of 奥昔托隆?
The molecular weight of 奥昔托隆 is 319.16 g/mol.
Where can I buy 奥昔托隆?
You can request a quote for 奥昔托隆 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 奥昔托隆?
Yes, KEHONG BIO provides custom synthesis services for 奥昔托隆 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.