3-Thia-7-azabicyclo(3.3.1)nonane, 7-(phenylmethyl)-, perchlorate
TL;DR: 3-Thia-7-azabicyclo(3.3.1)nonane, 7-(phenylmethyl)-, perchlorate (CAS 89398-07-2) is a chemical compound with molecular formula C14H20ClNO4S and molecular weight 333.08 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;perchloric acid
Also Known As: BRB-I-28 perchlorate, 7-Benzyl-3-thia-7-azabicyclo(3.3.1)nonane perchlorate, 3-Thia-7-azabicyclo(3.3.1)nonane, 7-(phenylmethyl)-, perchlorate, 7-(Phenylmethyl)-3-thia-7-azabicyclo(3.3.1)nonane perchlorate, 3-Thia-7-azabicyclo[3.3.1]nonane, 7-(phenylmethyl)-, perchlorate (1:1)
| Molecular Formula | C14H20ClNO4S |
|---|---|
| Molecular Weight | 333.08 g/mol |
| LogP | -1.2525 |
| Topological Polar Surface Area | 100.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 333.08017 |
| Heavy Atoms | 21 |
| Complexity | 327.0 |
Chemical Identifiers
| CAS Number | 89398-07-2 |
|---|---|
| SMILES | C1C2CN(CC1CSC2)CC3=CC=CC=C3.OCl(=O)(=O)=O |
| InChIKey | TXIGULLQJOBKIJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Thia-7-azabicyclo(3.3.1)nonane, 7-(phenylmethyl)-, perchlorate (CAS 89398-07-2), with molecular formula C14H20ClNO4S and molecular weight 333.08 g/mol. IUPAC: 7-benzyl-3-thia-7-azabicyclo[3.3.1]nonane;perchloric acid.
Chemical Property Profile of 3-Thia-7-azabicyclo(3.3.1)nonane, 7-(phenylmethyl)-, perchlorate
Property Insights of 3-Thia-7-azabicyclo(3.3.1)nonane, 7-(phenylmethyl)-, perchlorate
The XLogP value of -1.2525 indicates that 3-Thia-7-azabicyclo(3.3.1)nonane, 7-(phenylmethyl)-, perchlorate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Thia-7-azabicyclo(3.3.1)nonane, 7-(phenylmethyl)-, perchlorate. Following Lipinski's Rule of Five, 3-Thia-7-azabicyclo(3.3.1)nonane, 7-(phenylmethyl)-, perchlorate has 1 hydrogen bond donor(s) and 6 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 3-Thia-7-azabicyclo(3.3.1)nonane, 7-(phenylmethyl)-, perchlorate?
The CAS number of 3-Thia-7-azabicyclo(3.3.1)nonane, 7-(phenylmethyl)-, perchlorate is 89398-07-2.
What is the molecular formula of 3-Thia-7-azabicyclo(3.3.1)nonane, 7-(phenylmethyl)-, perchlorate?
The molecular formula of 3-Thia-7-azabicyclo(3.3.1)nonane, 7-(phenylmethyl)-, perchlorate is C14H20ClNO4S.
What is the molecular weight of 3-Thia-7-azabicyclo(3.3.1)nonane, 7-(phenylmethyl)-, perchlorate?
The molecular weight of 3-Thia-7-azabicyclo(3.3.1)nonane, 7-(phenylmethyl)-, perchlorate is 333.08 g/mol.
Where can I buy 3-Thia-7-azabicyclo(3.3.1)nonane, 7-(phenylmethyl)-, perchlorate?
You can request a quote for 3-Thia-7-azabicyclo(3.3.1)nonane, 7-(phenylmethyl)-, perchlorate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Thia-7-azabicyclo(3.3.1)nonane, 7-(phenylmethyl)-, perchlorate?
Yes, KEHONG BIO provides custom synthesis services for 3-Thia-7-azabicyclo(3.3.1)nonane, 7-(phenylmethyl)-, perchlorate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.