Trachelanthine
TL;DR: Trachelanthine (CAS 510-19-0) is a chemical compound with molecular formula C15H27NO5 and molecular weight 301.18893 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(1S,8S)-4-oxido-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-4-ium-1-yl]methyl (2R)-2-hydroxy-2-(1-hydroxyethyl)-3-methylbutanoate
Also Known As: Trachelanthine, Trachelanthamine oxide, Trachelanthamine N-oxide, [(1S,8S)-4-oxido-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-4-ium-1-yl]methyl (2R)-2-hydroxy-2-(1-hydroxyethyl)-3-methylbutanoate, (1R,7aS)-1-[[[(2S,3R)-2,3-Dihydroxy-2-isopropylbutanoyl]oxy]methyl]hexahydro-1H-pyrrolizine 4-oxide
Technical Specifications
| Molecular Formula | C15H27NO5 |
| Molecular Weight | 301.18893 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 84.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 301.18893 Da |
| Heavy Atoms | 21 |
| Complexity | 402.0 |
| SMILES | CC(C)[C@@](C(C)O)(C(=O)OC[C@H]1CC[N+]2([C@H]1CCC2)[O-])O |
| InChIKey | DLNWZIVYKQXLTN-CGYUPCHJSA-N |
Chemical Property Profile of Trachelanthine
Property Insights of Trachelanthine
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Trachelanthine. The TPSA of 84.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Trachelanthine. Following Lipinski's Rule of Five, Trachelanthine has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Trachelanthine?
The CAS number of Trachelanthine is 510-19-0.
What is the molecular formula of Trachelanthine?
The molecular formula of Trachelanthine is C15H27NO5.
What is the molecular weight of Trachelanthine?
The molecular weight of Trachelanthine is 301.18893 g/mol.
Where can I buy Trachelanthine?
You can request a quote for Trachelanthine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Trachelanthine?
Yes, CoreyChem provides custom synthesis services for Trachelanthine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.