Ajmalanium, 17,21-dihydroxy-4-(2-hydroxy-3-morpholinopropyl)-, (17R,21-alpha)-
TL;DR: Ajmalanium, 17,21-dihydroxy-4-(2-hydroxy-3-morpholinopropyl)-, (17R,21-alpha)- (CAS 47739-42-4) is a chemical compound with molecular formula C27H40N3O4+ and molecular weight 470.30 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-15-(2-hydroxy-3-morpholin-4-ylpropyl)-8-methyl-8-aza-15-azoniahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-14,18-diol
Also Known As: (17R,21-alpha)-17,21-Dihydroxy-4-(2-hydroxy-3-morpholinopropyl)ajmalanium, Ajmalanium, 17,21-dihydroxy-4-(2-hydroxy-3-morpholinopropyl)-, (17R,21-alpha)-, RefChem:317872
| Molecular Formula | C27H40N3O4+ |
|---|---|
| Molecular Weight | 470.30 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 76.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 470.30188 |
| Heavy Atoms | 34 |
| Complexity | 809.0 |
Chemical Identifiers
| CAS Number | 47739-42-4 |
|---|---|
| SMILES | CC[C@@H]1[C@H]([N+]2([C@H]3CC1C4[C@@H]2CC5([C@H]3N(C6=CC=CC=C65)C)[C@@H]4O)CC(CN7CCOCC7)O)O |
| InChIKey | KFUOOPMVANHOKK-QBDIDOSNSA-N |
Product Overview
Ajmalanium, 17,21-dihydroxy-4-(2-hydroxy-3-morpholinopropyl)-, (17R,21-alpha)- (CAS 47739-42-4), with molecular formula C27H40N3O4+ and molecular weight 470.30 g/mol. IUPAC: (9R,10S,13S,14R,16S,18R)-13-ethyl-15-(2-hydroxy-3-morpholin-4-ylpropyl)-8-methyl-8-aza-15-azoniahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-14,18-diol.
Chemical Property Profile of Ajmalanium, 17,21-dihydroxy-4-(2-hydroxy-3-morpholinopropyl)-, (17R,21-alpha)-
Property Insights of Ajmalanium, 17,21-dihydroxy-4-(2-hydroxy-3-morpholinopropyl)-, (17R,21-alpha)-
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ajmalanium, 17,21-dihydroxy-4-(2-hydroxy-3-morpholinopropyl)-, (17R,21-alpha)-. The TPSA of 76.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Ajmalanium, 17,21-dihydroxy-4-(2-hydroxy-3-morpholinopropyl)-, (17R,21-alpha)-. Following Lipinski's Rule of Five, Ajmalanium, 17,21-dihydroxy-4-(2-hydroxy-3-morpholinopropyl)-, (17R,21-alpha)- has 3 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 Ajmalanium, 17,21-dihydroxy-4-(2-hydroxy-3-morpholinopropyl)-, (17R,21-alpha)-?
The CAS number of Ajmalanium, 17,21-dihydroxy-4-(2-hydroxy-3-morpholinopropyl)-, (17R,21-alpha)- is 47739-42-4.
What is the molecular formula of Ajmalanium, 17,21-dihydroxy-4-(2-hydroxy-3-morpholinopropyl)-, (17R,21-alpha)-?
The molecular formula of Ajmalanium, 17,21-dihydroxy-4-(2-hydroxy-3-morpholinopropyl)-, (17R,21-alpha)- is C27H40N3O4+.
What is the molecular weight of Ajmalanium, 17,21-dihydroxy-4-(2-hydroxy-3-morpholinopropyl)-, (17R,21-alpha)-?
The molecular weight of Ajmalanium, 17,21-dihydroxy-4-(2-hydroxy-3-morpholinopropyl)-, (17R,21-alpha)- is 470.30 g/mol.
Where can I buy Ajmalanium, 17,21-dihydroxy-4-(2-hydroxy-3-morpholinopropyl)-, (17R,21-alpha)-?
You can request a quote for Ajmalanium, 17,21-dihydroxy-4-(2-hydroxy-3-morpholinopropyl)-, (17R,21-alpha)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ajmalanium, 17,21-dihydroxy-4-(2-hydroxy-3-morpholinopropyl)-, (17R,21-alpha)-?
Yes, KEHONG BIO provides custom synthesis services for Ajmalanium, 17,21-dihydroxy-4-(2-hydroxy-3-morpholinopropyl)-, (17R,21-alpha)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.