Brugine
TL;DR: Brugine (CAS 14912-30-2) is a chemical compound with molecular formula C12H19NO2S2 and molecular weight 273.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) (3S)-dithiolane-3-carboxylate
Also Known As: Brugine, (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) (3S)-dithiolane-3-carboxylate, 8-Methyl-8-azabicyclo[3.2.1]octan-3-yl (3S)-1,2-dithiolane-3-carboxylate, (8-methyl-8-azabicyclo(3.2.1)octan-3-yl) (3S)-dithiolane-3-carboxylate, RefChem:121743
| Molecular Formula | C12H19NO2S2 |
|---|---|
| Molecular Weight | 273.09 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 80.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 273.08572 |
| Heavy Atoms | 17 |
| Complexity | 299.0 |
Chemical Identifiers
| CAS Number | 14912-30-2 |
|---|---|
| SMILES | CN1C2CCC1CC(C2)OC(=O)[C@@H]3CCSS3 |
| InChIKey | BOJOZZSCQUTEBY-QUBJWBRDSA-N |
Product Overview
Brugine (CAS 14912-30-2), with molecular formula C12H19NO2S2 and molecular weight 273.09 g/mol. IUPAC: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) (3S)-dithiolane-3-carboxylate.
Chemical Property Profile of Brugine
Property Insights of Brugine
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Brugine. The TPSA of 80.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Brugine. Following Lipinski's Rule of Five, Brugine has 0 hydrogen bond donor(s) and 5 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 Brugine?
The CAS number of Brugine is 14912-30-2.
What is the molecular formula of Brugine?
The molecular formula of Brugine is C12H19NO2S2.
What is the molecular weight of Brugine?
The molecular weight of Brugine is 273.09 g/mol.
Where can I buy Brugine?
You can request a quote for Brugine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Brugine?
Yes, KEHONG BIO provides custom synthesis services for Brugine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.