Ajmalinium, N(sup 4)-propyl-, bromide
TL;DR: Ajmalinium, N(sup 4)-propyl-, bromide (CAS 14046-99-2) is a chemical compound with molecular formula C23H33BrN2O2 and molecular weight 448.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(9R,10S,13S,14R,16S,18R)-13-ethyl-8-methyl-15-propyl-8-aza-15-azoniahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-14,18-diol bromide
Also Known As: N-Propylajmaline bromide, N4-Propylajmaline bromide, N-Propylajmalinium bromide, N4-Propylajmalinium bromide, N6-Propylajmalinium bromide
| Molecular Formula | C23H33BrN2O2 |
|---|---|
| Molecular Weight | 448.17 g/mol |
| LogP | -0.5167 |
| Topological Polar Surface Area | 43.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 448.17255 |
| Heavy Atoms | 28 |
| Complexity | 642.0 |
Chemical Identifiers
| CAS Number | 14046-99-2 |
|---|---|
| SMILES | CCC[N+]12[C@H]3CC([C@@H]([C@H]1O)CC)C4[C@@H]2CC5([C@H]3N(C6=CC=CC=C65)C)[C@@H]4O.[Br-] |
| InChIKey | WNHGHARIQXGXTA-UTZXWTGVSA-M |
Product Overview
Ajmalinium, N(sup 4)-propyl-, bromide (CAS 14046-99-2), with molecular formula C23H33BrN2O2 and molecular weight 448.17 g/mol. IUPAC: (9R,10S,13S,14R,16S,18R)-13-ethyl-8-methyl-15-propyl-8-aza-15-azoniahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-14,18-diol bromide.
Chemical Property Profile of Ajmalinium, N(sup 4)-propyl-, bromide
Property Insights of Ajmalinium, N(sup 4)-propyl-, bromide
The XLogP value of -0.5167 indicates that Ajmalinium, N(sup 4)-propyl-, bromide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 43.7 Ų, Ajmalinium, N(sup 4)-propyl-, bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ajmalinium, N(sup 4)-propyl-, bromide has 2 hydrogen bond donor(s) and 4 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 Ajmalinium, N(sup 4)-propyl-, bromide?
The CAS number of Ajmalinium, N(sup 4)-propyl-, bromide is 14046-99-2.
What is the molecular formula of Ajmalinium, N(sup 4)-propyl-, bromide?
The molecular formula of Ajmalinium, N(sup 4)-propyl-, bromide is C23H33BrN2O2.
What is the molecular weight of Ajmalinium, N(sup 4)-propyl-, bromide?
The molecular weight of Ajmalinium, N(sup 4)-propyl-, bromide is 448.17 g/mol.
Where can I buy Ajmalinium, N(sup 4)-propyl-, bromide?
You can request a quote for Ajmalinium, N(sup 4)-propyl-, bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ajmalinium, N(sup 4)-propyl-, bromide?
Yes, KEHONG BIO provides custom synthesis services for Ajmalinium, N(sup 4)-propyl-, bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.