7-Benzyl 3-thia-7-azabicyclo(3.3.1)nonane
TL;DR: 7-Benzyl 3-thia-7-azabicyclo(3.3.1)nonane (CAS 89398-06-1) is a chemical compound with molecular formula C14H19NS and molecular weight 233.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-benzyl-3-thia-7-azabicyclo[3.3.1]nonane
Also Known As: 7-Btabn, Brb-I-28, Brb I 28, 7-benzyl-3-thia-7-azabicyclo[3.3.1]nonane, 7-benzyl3-thia-7-azabicyclo nonane
| Molecular Formula | C14H19NS |
|---|---|
| Molecular Weight | 233.12 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 28.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 233.12383 |
| Heavy Atoms | 16 |
| Complexity | 213.0 |
Chemical Identifiers
| CAS Number | 89398-06-1 |
|---|---|
| SMILES | C1C2CN(CC1CSC2)CC3=CC=CC=C3 |
| InChIKey | GGVNYPLCGOIQCO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7-Benzyl 3-thia-7-azabicyclo(3.3.1)nonane (CAS 89398-06-1), with molecular formula C14H19NS and molecular weight 233.12 g/mol. IUPAC: 7-benzyl-3-thia-7-azabicyclo[3.3.1]nonane.
Chemical Property Profile of 7-Benzyl 3-thia-7-azabicyclo(3.3.1)nonane
Property Insights of 7-Benzyl 3-thia-7-azabicyclo(3.3.1)nonane
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Benzyl 3-thia-7-azabicyclo(3.3.1)nonane. With a topological polar surface area (TPSA) of 28.5 Ų, 7-Benzyl 3-thia-7-azabicyclo(3.3.1)nonane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Benzyl 3-thia-7-azabicyclo(3.3.1)nonane 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 7-Benzyl 3-thia-7-azabicyclo(3.3.1)nonane?
The CAS number of 7-Benzyl 3-thia-7-azabicyclo(3.3.1)nonane is 89398-06-1.
What is the molecular formula of 7-Benzyl 3-thia-7-azabicyclo(3.3.1)nonane?
The molecular formula of 7-Benzyl 3-thia-7-azabicyclo(3.3.1)nonane is C14H19NS.
What is the molecular weight of 7-Benzyl 3-thia-7-azabicyclo(3.3.1)nonane?
The molecular weight of 7-Benzyl 3-thia-7-azabicyclo(3.3.1)nonane is 233.12 g/mol.
Where can I buy 7-Benzyl 3-thia-7-azabicyclo(3.3.1)nonane?
You can request a quote for 7-Benzyl 3-thia-7-azabicyclo(3.3.1)nonane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Benzyl 3-thia-7-azabicyclo(3.3.1)nonane?
Yes, KEHONG BIO provides custom synthesis services for 7-Benzyl 3-thia-7-azabicyclo(3.3.1)nonane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.