Ajmalanium, 17,21-dihydroxy-4-(2-hydroxy-3-piperidinopropyl)-, (17R,21-alpha)-
TL;DR: Ajmalanium, 17,21-dihydroxy-4-(2-hydroxy-3-piperidinopropyl)-, (17R,21-alpha)- (CAS 47739-41-3) is a chemical compound with molecular formula C28H42N3O3+ and molecular weight 468.32 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-piperidin-1-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-piperidinopropyl)ajmalanium, Ajmalanium, 17,21-dihydroxy-4-(2-hydroxy-3-piperidinopropyl)-, (17R,21-alpha)-, BRN 4044985, RefChem:317873
| Molecular Formula | C28H42N3O3+ |
|---|---|
| Molecular Weight | 468.32 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 67.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 468.32263 |
| Heavy Atoms | 34 |
| Complexity | 806.0 |
Chemical Identifiers
| CAS Number | 47739-41-3 |
|---|---|
| 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(CN7CCCCC7)O)O |
| InChIKey | PBXKNIPBIUGHOK-CLSINGCFSA-N |
Product Overview
Ajmalanium, 17,21-dihydroxy-4-(2-hydroxy-3-piperidinopropyl)-, (17R,21-alpha)- (CAS 47739-41-3), with molecular formula C28H42N3O3+ and molecular weight 468.32 g/mol. IUPAC: (9R,10S,13S,14R,16S,18R)-13-ethyl-15-(2-hydroxy-3-piperidin-1-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-piperidinopropyl)-, (17R,21-alpha)-
Property Insights of Ajmalanium, 17,21-dihydroxy-4-(2-hydroxy-3-piperidinopropyl)-, (17R,21-alpha)-
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ajmalanium, 17,21-dihydroxy-4-(2-hydroxy-3-piperidinopropyl)-, (17R,21-alpha)-. The TPSA of 67.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Ajmalanium, 17,21-dihydroxy-4-(2-hydroxy-3-piperidinopropyl)-, (17R,21-alpha)-. Following Lipinski's Rule of Five, Ajmalanium, 17,21-dihydroxy-4-(2-hydroxy-3-piperidinopropyl)-, (17R,21-alpha)- has 3 hydrogen bond donor(s) and 5 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-piperidinopropyl)-, (17R,21-alpha)-?
The CAS number of Ajmalanium, 17,21-dihydroxy-4-(2-hydroxy-3-piperidinopropyl)-, (17R,21-alpha)- is 47739-41-3.
What is the molecular formula of Ajmalanium, 17,21-dihydroxy-4-(2-hydroxy-3-piperidinopropyl)-, (17R,21-alpha)-?
The molecular formula of Ajmalanium, 17,21-dihydroxy-4-(2-hydroxy-3-piperidinopropyl)-, (17R,21-alpha)- is C28H42N3O3+.
What is the molecular weight of Ajmalanium, 17,21-dihydroxy-4-(2-hydroxy-3-piperidinopropyl)-, (17R,21-alpha)-?
The molecular weight of Ajmalanium, 17,21-dihydroxy-4-(2-hydroxy-3-piperidinopropyl)-, (17R,21-alpha)- is 468.32 g/mol.
Where can I buy Ajmalanium, 17,21-dihydroxy-4-(2-hydroxy-3-piperidinopropyl)-, (17R,21-alpha)-?
You can request a quote for Ajmalanium, 17,21-dihydroxy-4-(2-hydroxy-3-piperidinopropyl)-, (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-piperidinopropyl)-, (17R,21-alpha)-?
Yes, KEHONG BIO provides custom synthesis services for Ajmalanium, 17,21-dihydroxy-4-(2-hydroxy-3-piperidinopropyl)-, (17R,21-alpha)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.