N-Isobutylveratramine hydrochloride
TL;DR: N-Isobutylveratramine hydrochloride (CAS 105043-88-7) is a chemical compound with molecular formula C31H48ClNO2 and molecular weight 501.33737 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S,3R,5S)-2-[(1S)-1-[(3S,6aR,11aS,11bR)-3-hydroxy-10,11b-dimethyl-1,2,3,4,6,6a,11,11a-octahydrobenzo[a]fluoren-9-yl]ethyl]-5-methyl-1-(2-methylpropyl)piperidin-3-ol;hydrochloride
Also Known As: N-Isobutylveratramine hydrochloride, Veratramine, N-isobutyl-, hydrochloride, 28-(2-Methylpropyl)-14,15,16,17-tetradehydroveratraman-3,23-diol--hydrogen chloride (1/1), (23R)-28-(2-Methylpropyl)-14,15,16,17-tetradehydroveratraman-3beta,23-diol--hydrogen chloride (1/1), (2S,3R,5S)-2-[(1S)-1-[(3S,6aR,11aS,11bR)-3-hydroxy-10,11b-dimethyl-1,2,3,4,6,6a,11,11a-octahydrobenzo[a]fluoren-9-yl]ethyl]-5-methyl-1-(2-methylpropyl)piperidin-3-ol hydrochloride
Technical Specifications
| Molecular Formula | C31H48ClNO2 |
| Molecular Weight | 501.33737 g/mol |
| XLogP | 6.38472 |
| Topological Polar Surface Area (TPSA) | 43.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 501.33737 Da |
| Heavy Atoms | 35 |
| Complexity | 763.0 |
| SMILES | C[C@H]1C[C@H]([C@@H](N(C1)CC(C)C)[C@@H](C)C2=C(C3=C(C=C2)[C@@H]4CC=C5C[C@H](CC[C@@]5([C@H]4C3)C)O)C)O.Cl |
| InChIKey | YKQCHRHLKZOTBF-FFRVBXERSA-N |
Chemical Property Profile of N-Isobutylveratramine hydrochloride
Property Insights of N-Isobutylveratramine hydrochloride
The XLogP value of 6.38472 indicates that N-Isobutylveratramine hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.7 Ų, N-Isobutylveratramine hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Isobutylveratramine hydrochloride has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of N-Isobutylveratramine hydrochloride?
The CAS number of N-Isobutylveratramine hydrochloride is 105043-88-7.
What is the molecular formula of N-Isobutylveratramine hydrochloride?
The molecular formula of N-Isobutylveratramine hydrochloride is C31H48ClNO2.
What is the molecular weight of N-Isobutylveratramine hydrochloride?
The molecular weight of N-Isobutylveratramine hydrochloride is 501.33737 g/mol.
Where can I buy N-Isobutylveratramine hydrochloride?
You can request a quote for N-Isobutylveratramine hydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-Isobutylveratramine hydrochloride?
Yes, CoreyChem provides custom synthesis services for N-Isobutylveratramine hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.