7-Benzyl-3-thia-7-azabicyclo(3.3.1)nonan-9-one
TL;DR: 7-Benzyl-3-thia-7-azabicyclo(3.3.1)nonan-9-one (CAS 89398-04-9) is a chemical compound with molecular formula C14H17NOS and molecular weight 247.10 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]nonan-9-one
Also Known As: 7-Benzyl-3-thia-7-azabicyclo[3.3.1]nonan-9-one, 7-Btabo, 3-Thia-7-azabicyclo[3.3.1]nonan-9-one,7-(phenylmethyl)-, 7-Benzyl-3-thia-7-azabicyclo(3.3.1)nonan-9-one, J1.207.488C
| Molecular Formula | C14H17NOS |
|---|---|
| Molecular Weight | 247.10 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 45.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 247.10309 |
| Heavy Atoms | 17 |
| Complexity | 272.0 |
Chemical Identifiers
| CAS Number | 89398-04-9 |
|---|---|
| SMILES | C1C2CSCC(C2=O)CN1CC3=CC=CC=C3 |
| InChIKey | ONSHXQWGCKFQFZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7-Benzyl-3-thia-7-azabicyclo(3.3.1)nonan-9-one (CAS 89398-04-9), with molecular formula C14H17NOS and molecular weight 247.10 g/mol. IUPAC: 7-benzyl-3-thia-7-azabicyclo[3.3.1]nonan-9-one.
Chemical Property Profile of 7-Benzyl-3-thia-7-azabicyclo(3.3.1)nonan-9-one
Property Insights of 7-Benzyl-3-thia-7-azabicyclo(3.3.1)nonan-9-one
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Benzyl-3-thia-7-azabicyclo(3.3.1)nonan-9-one. With a topological polar surface area (TPSA) of 45.6 Ų, 7-Benzyl-3-thia-7-azabicyclo(3.3.1)nonan-9-one 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)nonan-9-one 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 7-Benzyl-3-thia-7-azabicyclo(3.3.1)nonan-9-one?
The CAS number of 7-Benzyl-3-thia-7-azabicyclo(3.3.1)nonan-9-one is 89398-04-9.
What is the molecular formula of 7-Benzyl-3-thia-7-azabicyclo(3.3.1)nonan-9-one?
The molecular formula of 7-Benzyl-3-thia-7-azabicyclo(3.3.1)nonan-9-one is C14H17NOS.
What is the molecular weight of 7-Benzyl-3-thia-7-azabicyclo(3.3.1)nonan-9-one?
The molecular weight of 7-Benzyl-3-thia-7-azabicyclo(3.3.1)nonan-9-one is 247.10 g/mol.
Where can I buy 7-Benzyl-3-thia-7-azabicyclo(3.3.1)nonan-9-one?
You can request a quote for 7-Benzyl-3-thia-7-azabicyclo(3.3.1)nonan-9-one 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)nonan-9-one?
Yes, KEHONG BIO provides custom synthesis services for 7-Benzyl-3-thia-7-azabicyclo(3.3.1)nonan-9-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.