Bis(monochloroacetyl)ajmaline
TL;DR: Bis(monochloroacetyl)ajmaline (CAS 5465-41-8) is a chemical compound with molecular formula C24H29Cl3N2O4 and molecular weight 514.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(9R,10S,13S,14R,16S,18R)-14-(2-chloroacetyl)oxy-13-ethyl-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-trien-18-yl] 2-chloroacetate;hydrochloride
Also Known As: DCAA, Bis(monochloroacetyl)ajmaline, Dimonocloroacetilajmalina cloridrato, KST-1A5916, Dimonochloroacetylajmaline hydrochloride
| Molecular Formula | C24H29Cl3N2O4 |
|---|---|
| Molecular Weight | 514.12 g/mol |
| LogP | 3.5557 |
| Topological Polar Surface Area | 59.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 514.11926 |
| Heavy Atoms | 33 |
| Complexity | 813.0 |
Chemical Identifiers
| CAS Number | 5465-41-8 |
|---|---|
| SMILES | CC[C@@H]1[C@H](N2[C@H]3CC1C4[C@@H]2CC5([C@H]3N(C6=CC=CC=C65)C)[C@@H]4OC(=O)CCl)OC(=O)CCl.Cl |
| InChIKey | UWIVMLUBHUNIBC-MJSUFJGSSA-N |
Product Overview
Bis(monochloroacetyl)ajmaline (CAS 5465-41-8), with molecular formula C24H29Cl3N2O4 and molecular weight 514.12 g/mol. IUPAC: [(9R,10S,13S,14R,16S,18R)-14-(2-chloroacetyl)oxy-13-ethyl-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-trien-18-yl] 2-chloroacetate;hydrochloride.
Chemical Property Profile of Bis(monochloroacetyl)ajmaline
Property Insights of Bis(monochloroacetyl)ajmaline
The XLogP value of 3.5557 indicates that Bis(monochloroacetyl)ajmaline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.1 Ų, Bis(monochloroacetyl)ajmaline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bis(monochloroacetyl)ajmaline has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bis(monochloroacetyl)ajmaline?
The CAS number of Bis(monochloroacetyl)ajmaline is 5465-41-8.
What is the molecular formula of Bis(monochloroacetyl)ajmaline?
The molecular formula of Bis(monochloroacetyl)ajmaline is C24H29Cl3N2O4.
What is the molecular weight of Bis(monochloroacetyl)ajmaline?
The molecular weight of Bis(monochloroacetyl)ajmaline is 514.12 g/mol.
Where can I buy Bis(monochloroacetyl)ajmaline?
You can request a quote for Bis(monochloroacetyl)ajmaline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(monochloroacetyl)ajmaline?
Yes, KEHONG BIO provides custom synthesis services for Bis(monochloroacetyl)ajmaline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.