Ajmalanium, 4-(3-butoxy-2-hydroxypropyl)-17,21-dihydroxy-, (17R,21-alpha)-
TL;DR: Ajmalanium, 4-(3-butoxy-2-hydroxypropyl)-17,21-dihydroxy-, (17R,21-alpha)- (CAS 58892-92-5) is a chemical compound with molecular formula C27H41N2O4+ and molecular weight 457.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(9R,10S,13S,14R,16S,18R)-15-(3-butoxy-2-hydroxypropyl)-13-ethyl-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)-4-(3-Butoxy-2-hydroxypropyl)-17,21-dihydroxyajmalanium, Ajmalanium, 4-(3-butoxy-2-hydroxypropyl)-17,21-dihydroxy-, (17R,21-alpha)-, BRN 4040682, RefChem:317880
| Molecular Formula | C27H41N2O4+ |
|---|---|
| Molecular Weight | 457.31 g/mol |
| LogP | 2.2469 |
| Topological Polar Surface Area | 73.16 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 457.30664 |
| Heavy Atoms | 33 |
| Complexity | 911.8625 |
Chemical Identifiers
| CAS Number | 58892-92-5 |
|---|---|
| SMILES | CCCCOCC(C[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)O |
Product Overview
Ajmalanium, 4-(3-butoxy-2-hydroxypropyl)-17,21-dihydroxy-, (17R,21-alpha)- (CAS 58892-92-5), with molecular formula C27H41N2O4+ and molecular weight 457.31 g/mol. IUPAC: (9R,10S,13S,14R,16S,18R)-15-(3-butoxy-2-hydroxypropyl)-13-ethyl-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, 4-(3-butoxy-2-hydroxypropyl)-17,21-dihydroxy-, (17R,21-alpha)-
Property Insights of Ajmalanium, 4-(3-butoxy-2-hydroxypropyl)-17,21-dihydroxy-, (17R,21-alpha)-
The XLogP value of 2.2469 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ajmalanium, 4-(3-butoxy-2-hydroxypropyl)-17,21-dihydroxy-, (17R,21-alpha)-. The TPSA of 73.16 Ų falls within the moderate polarity range, balancing permeability and solubility for Ajmalanium, 4-(3-butoxy-2-hydroxypropyl)-17,21-dihydroxy-, (17R,21-alpha)-. Following Lipinski's Rule of Five, Ajmalanium, 4-(3-butoxy-2-hydroxypropyl)-17,21-dihydroxy-, (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, 4-(3-butoxy-2-hydroxypropyl)-17,21-dihydroxy-, (17R,21-alpha)-?
The CAS number of Ajmalanium, 4-(3-butoxy-2-hydroxypropyl)-17,21-dihydroxy-, (17R,21-alpha)- is 58892-92-5.
What is the molecular formula of Ajmalanium, 4-(3-butoxy-2-hydroxypropyl)-17,21-dihydroxy-, (17R,21-alpha)-?
The molecular formula of Ajmalanium, 4-(3-butoxy-2-hydroxypropyl)-17,21-dihydroxy-, (17R,21-alpha)- is C27H41N2O4+.
What is the molecular weight of Ajmalanium, 4-(3-butoxy-2-hydroxypropyl)-17,21-dihydroxy-, (17R,21-alpha)-?
The molecular weight of Ajmalanium, 4-(3-butoxy-2-hydroxypropyl)-17,21-dihydroxy-, (17R,21-alpha)- is 457.31 g/mol.
Where can I buy Ajmalanium, 4-(3-butoxy-2-hydroxypropyl)-17,21-dihydroxy-, (17R,21-alpha)-?
You can request a quote for Ajmalanium, 4-(3-butoxy-2-hydroxypropyl)-17,21-dihydroxy-, (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, 4-(3-butoxy-2-hydroxypropyl)-17,21-dihydroxy-, (17R,21-alpha)-?
Yes, KEHONG BIO provides custom synthesis services for Ajmalanium, 4-(3-butoxy-2-hydroxypropyl)-17,21-dihydroxy-, (17R,21-alpha)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.