Dichloroacetylajmaline
TL;DR: Dichloroacetylajmaline (CAS 33695-11-3) is a chemical compound with molecular formula C24H28Cl2N2O4 and molecular weight 478.14 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
Also Known As: Dichloroacetylajmaline, KST-1A3928, (16xi,17r,21, A)-ajmalan-17,21-diyl bis(chloroacetate), Ajmalan-17,21-diol, bis(chloroacetate) (ester), (17R,21alpha)-
| Molecular Formula | C24H28Cl2N2O4 |
|---|---|
| Molecular Weight | 478.14 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 59.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 478.1426 |
| Heavy Atoms | 32 |
| Complexity | 813.0 |
Chemical Identifiers
| CAS Number | 33695-11-3 |
|---|---|
| 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 |
| InChIKey | XZIPNZUGJSZRCQ-IEHLMEBJSA-N |
Product Overview
Dichloroacetylajmaline (CAS 33695-11-3), with molecular formula C24H28Cl2N2O4 and molecular weight 478.14 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.
Chemical Property Profile of Dichloroacetylajmaline
Property Insights of Dichloroacetylajmaline
The XLogP value of 4.2 indicates that Dichloroacetylajmaline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.1 Ų, Dichloroacetylajmaline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dichloroacetylajmaline has 0 hydrogen bond donor(s) and 6 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 Dichloroacetylajmaline?
The CAS number of Dichloroacetylajmaline is 33695-11-3.
What is the molecular formula of Dichloroacetylajmaline?
The molecular formula of Dichloroacetylajmaline is C24H28Cl2N2O4.
What is the molecular weight of Dichloroacetylajmaline?
The molecular weight of Dichloroacetylajmaline is 478.14 g/mol.
Where can I buy Dichloroacetylajmaline?
You can request a quote for Dichloroacetylajmaline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dichloroacetylajmaline?
Yes, KEHONG BIO provides custom synthesis services for Dichloroacetylajmaline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.