Bertosamil
TL;DR: Bertosamil (CAS 126825-36-3) is a chemical compound with molecular formula C19H36N2 and molecular weight 292.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-methylpropyl)-7-propan-2-ylspiro[3,7-diazabicyclo[3.3.1]nonane-9,1'-cyclohexane]
Also Known As: Bertosamil, 7-(2-methylpropyl)-3-propan-2-ylspiro[3,7-diazabicyclo[3.3.1, 3'-isobutyl-7'-isopropylspiro(cyclohexane-1,9'-(3,7)diazabicyclo[3.3.1]nonane), 3-(2-methylpropyl)-7-propan-2-ylspiro[3,7-diazabicyclo[3.3.1]nonane-9,1'-cyclohexane], 3-Isobutyl-7-isopropylspiro[3,7-diazabicyclo[3.3.1]nonane-9,1 -cyclohexane]
| Molecular Formula | C19H36N2 |
|---|---|
| Molecular Weight | 292.29 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 6.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 292.28784 |
| Heavy Atoms | 21 |
| Complexity | 325.0 |
Chemical Identifiers
| CAS Number | 126825-36-3 |
|---|---|
| SMILES | CC(C)CN1CC2CN(CC(C1)C23CCCCC3)C(C)C |
| InChIKey | AOIVZQPSIHOHMP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bertosamil (CAS 126825-36-3), with molecular formula C19H36N2 and molecular weight 292.29 g/mol. IUPAC: 3-(2-methylpropyl)-7-propan-2-ylspiro[3,7-diazabicyclo[3.3.1]nonane-9,1'-cyclohexane].
Chemical Property Profile of Bertosamil
Property Insights of Bertosamil
The XLogP value of 5.1 indicates that Bertosamil is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 6.5 Ų, Bertosamil exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bertosamil has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bertosamil?
The CAS number of Bertosamil is 126825-36-3.
What is the molecular formula of Bertosamil?
The molecular formula of Bertosamil is C19H36N2.
What is the molecular weight of Bertosamil?
The molecular weight of Bertosamil is 292.29 g/mol.
Where can I buy Bertosamil?
You can request a quote for Bertosamil directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bertosamil?
Yes, KEHONG BIO provides custom synthesis services for Bertosamil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.