10-Bromo-4-hexyl-17,21-dihydroxyajmalan-4-ium
TL;DR: 10-Bromo-4-hexyl-17,21-dihydroxyajmalan-4-ium (CAS 79731-93-4) is a chemical compound with molecular formula C26H38BrN2O2+ and molecular weight 489.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(9R,10S,13R,14S,16S,18R)-4-bromo-13-ethyl-15-hexyl-8-methyl-8-aza-15-azoniahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2(7),3,5-triene-14,18-diol
Also Known As: N(sub b)-n-Hexyl-10-bromosandwicinium hydrogen tartrate, 10-Bromo-4-hexyl-17,21-dihydroxyajmalan-4-ium, Ajmalanium, 10-bromo-17,21-dihydroxy-4-hexyl-, (17R,21-alpha)-, salt with (R-(R*,R*))-2,3-dihydroxybutanedioic acid (1:1), (17R)-10-Bromo-4-hexyl-17,21beta-dihydroxy-16xi,20alpha-ajmalan-4-ium, RefChem:1057211
| Molecular Formula | C26H38BrN2O2+ |
|---|---|
| Molecular Weight | 489.21 g/mol |
| LogP | 4.4121 |
| Topological Polar Surface Area | 43.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 489.21167 |
| Heavy Atoms | 31 |
| Complexity | 894.15796 |
Chemical Identifiers
| CAS Number | 79731-93-4 |
|---|---|
| SMILES | CCCCCC[N+]12[C@H]3CC([C@H]([C@@H]1O)CC)C4[C@@H]2CC5([C@H]3N(C6=C5C=C(C=C6)Br)C)[C@@H]4O |
Product Overview
10-Bromo-4-hexyl-17,21-dihydroxyajmalan-4-ium (CAS 79731-93-4), with molecular formula C26H38BrN2O2+ and molecular weight 489.21 g/mol. IUPAC: (9R,10S,13R,14S,16S,18R)-4-bromo-13-ethyl-15-hexyl-8-methyl-8-aza-15-azoniahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2(7),3,5-triene-14,18-diol.
Chemical Property Profile of 10-Bromo-4-hexyl-17,21-dihydroxyajmalan-4-ium
Property Insights of 10-Bromo-4-hexyl-17,21-dihydroxyajmalan-4-ium
The XLogP value of 4.4121 indicates that 10-Bromo-4-hexyl-17,21-dihydroxyajmalan-4-ium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.7 Ų, 10-Bromo-4-hexyl-17,21-dihydroxyajmalan-4-ium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 10-Bromo-4-hexyl-17,21-dihydroxyajmalan-4-ium has 2 hydrogen bond donor(s) and 3 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 10-Bromo-4-hexyl-17,21-dihydroxyajmalan-4-ium?
The CAS number of 10-Bromo-4-hexyl-17,21-dihydroxyajmalan-4-ium is 79731-93-4.
What is the molecular formula of 10-Bromo-4-hexyl-17,21-dihydroxyajmalan-4-ium?
The molecular formula of 10-Bromo-4-hexyl-17,21-dihydroxyajmalan-4-ium is C26H38BrN2O2+.
What is the molecular weight of 10-Bromo-4-hexyl-17,21-dihydroxyajmalan-4-ium?
The molecular weight of 10-Bromo-4-hexyl-17,21-dihydroxyajmalan-4-ium is 489.21 g/mol.
Where can I buy 10-Bromo-4-hexyl-17,21-dihydroxyajmalan-4-ium?
You can request a quote for 10-Bromo-4-hexyl-17,21-dihydroxyajmalan-4-ium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 10-Bromo-4-hexyl-17,21-dihydroxyajmalan-4-ium?
Yes, KEHONG BIO provides custom synthesis services for 10-Bromo-4-hexyl-17,21-dihydroxyajmalan-4-ium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.