Nabazenil
TL;DR: Nabazenil (CAS 58019-65-1) is a chemical compound with molecular formula C35H55NO3 and molecular weight 537.42 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[6,6,9-trimethyl-3-(3-methyloctan-2-yl)-7,8,9,10-tetrahydrobenzo[c]chromen-1-yl] 4-(azepan-1-yl)butanoate
Also Known As: Nabazenil, Nabazenilum, Nabazenil [USAN:INN], NABAZENIL [INN], NABAZENIL [USAN]
| Molecular Formula | C35H55NO3 |
|---|---|
| Molecular Weight | 537.42 g/mol |
| LogP | 8.9 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 537.4182 |
| Heavy Atoms | 39 |
| Complexity | 811.0 |
Chemical Identifiers
| CAS Number | 58019-65-1 |
|---|---|
| SMILES | CCCCCC(C)C(C)C1=CC2=C(C3=C(CCC(C3)C)C(O2)(C)C)C(=C1)OC(=O)CCCN4CCCCCC4 |
| InChIKey | DRVZFWZGQKGHQO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Nabazenil (CAS 58019-65-1), with molecular formula C35H55NO3 and molecular weight 537.42 g/mol. IUPAC: [6,6,9-trimethyl-3-(3-methyloctan-2-yl)-7,8,9,10-tetrahydrobenzo[c]chromen-1-yl] 4-(azepan-1-yl)butanoate.
Chemical Property Profile of Nabazenil
Property Insights of Nabazenil
The XLogP value of 8.9 indicates that Nabazenil is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.8 Ų, Nabazenil exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Nabazenil has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Nabazenil?
The CAS number of Nabazenil is 58019-65-1.
What is the molecular formula of Nabazenil?
The molecular formula of Nabazenil is C35H55NO3.
What is the molecular weight of Nabazenil?
The molecular weight of Nabazenil is 537.42 g/mol.
Where can I buy Nabazenil?
You can request a quote for Nabazenil directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nabazenil?
Yes, KEHONG BIO provides custom synthesis services for Nabazenil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.