Thiolupinine
TL;DR: Thiolupinine (CAS 1787294-10-3) is a chemical compound with molecular formula C10H19NS and molecular weight 185.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methanethiol
Also Known As: Thiolupinine, Mercaptolupinane, (1r)-octahydro-2h-quinolizin-1-ylmethanethiol, (Quinolizidin-1alpha-yl)methanthiol, KST-1A2396
| Molecular Formula | C10H19NS |
|---|---|
| Molecular Weight | 185.12 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 4.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 185.12383 |
| Heavy Atoms | 12 |
| Complexity | 149.0 |
Chemical Identifiers
| CAS Number | 1787294-10-3 |
|---|---|
| SMILES | C1CCN2CCC[C@H](C2C1)CS |
| InChIKey | IDJFQEVIICXDDP-RGURZIINSA-N |
Product Overview
Thiolupinine (CAS 1787294-10-3), with molecular formula C10H19NS and molecular weight 185.12 g/mol. IUPAC: [(1R)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methanethiol.
Chemical Property Profile of Thiolupinine
Property Insights of Thiolupinine
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thiolupinine. With a topological polar surface area (TPSA) of 4.2 Ų, Thiolupinine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thiolupinine has 1 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 Thiolupinine?
The CAS number of Thiolupinine is 1787294-10-3.
What is the molecular formula of Thiolupinine?
The molecular formula of Thiolupinine is C10H19NS.
What is the molecular weight of Thiolupinine?
The molecular weight of Thiolupinine is 185.12 g/mol.
Where can I buy Thiolupinine?
You can request a quote for Thiolupinine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiolupinine?
Yes, KEHONG BIO provides custom synthesis services for Thiolupinine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.