10-Bromo-17,21-dihydroxy-4-propylajmalan-4-ium 3-carboxy-2,3-dihydroxypropanoate
TL;DR: 10-Bromo-17,21-dihydroxy-4-propylajmalan-4-ium 3-carboxy-2,3-dihydroxypropanoate (CAS 79731-89-8) is a chemical compound with molecular formula C27H37BrN2O8 and molecular weight 596.17 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-8-methyl-15-propyl-8-aza-15-azoniahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2(7),3,5-triene-14,18-diol;(2R,3R)-2,3,4-trihydroxy-4-oxobutanoate
Also Known As: N(sub b)-n-Propyl-10-bromoisosandwicinium hydrogen tartrate, Nb-Propyl-10-bromoisosandwicinium hydrogen tartrate, N(sub b)-n-Propyl-10-bromosandwicinium hydrogen tartrate, Ajmalanium, 10-bromo-17,21-dihydroxy-4-propyl-, (17R,20-alpha,21-beta)-, salt with (R-(R*,R*))-2,3-dihydroxybutanedioic acid (1:1), 10-Bromo-17,21-dihydroxy-4-propylajmalan-4-ium 3-carboxy-2,3-dihydroxypropanoate
| Molecular Formula | C27H37BrN2O8 |
|---|---|
| Molecular Weight | 596.17 g/mol |
| LogP | -0.2155 |
| Topological Polar Surface Area | 161.59 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 596.17334 |
| Heavy Atoms | 38 |
| Complexity | 1118.2948 |
Chemical Identifiers
| CAS Number | 79731-89-8 |
|---|---|
| SMILES | CCC[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.[C@@H]([C@H](C(=O)[O-])O)(C(=O)O)O |
Product Overview
10-Bromo-17,21-dihydroxy-4-propylajmalan-4-ium 3-carboxy-2,3-dihydroxypropanoate (CAS 79731-89-8), with molecular formula C27H37BrN2O8 and molecular weight 596.17 g/mol. IUPAC: (9R,10S,13R,14S,16S,18R)-4-bromo-13-ethyl-8-methyl-15-propyl-8-aza-15-azoniahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2(7),3,5-triene-14,18-diol;(2R,3R)-2,3,4-trihydroxy-4-oxobutanoate.
Chemical Property Profile of 10-Bromo-17,21-dihydroxy-4-propylajmalan-4-ium 3-carboxy-2,3-dihydroxypropanoate
Property Insights of 10-Bromo-17,21-dihydroxy-4-propylajmalan-4-ium 3-carboxy-2,3-dihydroxypropanoate
The XLogP value of -0.2155 indicates that 10-Bromo-17,21-dihydroxy-4-propylajmalan-4-ium 3-carboxy-2,3-dihydroxypropanoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 161.59 Ų indicates high polarity, suggesting 10-Bromo-17,21-dihydroxy-4-propylajmalan-4-ium 3-carboxy-2,3-dihydroxypropanoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 10-Bromo-17,21-dihydroxy-4-propylajmalan-4-ium 3-carboxy-2,3-dihydroxypropanoate has 5 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 10-Bromo-17,21-dihydroxy-4-propylajmalan-4-ium 3-carboxy-2,3-dihydroxypropanoate?
The CAS number of 10-Bromo-17,21-dihydroxy-4-propylajmalan-4-ium 3-carboxy-2,3-dihydroxypropanoate is 79731-89-8.
What is the molecular formula of 10-Bromo-17,21-dihydroxy-4-propylajmalan-4-ium 3-carboxy-2,3-dihydroxypropanoate?
The molecular formula of 10-Bromo-17,21-dihydroxy-4-propylajmalan-4-ium 3-carboxy-2,3-dihydroxypropanoate is C27H37BrN2O8.
What is the molecular weight of 10-Bromo-17,21-dihydroxy-4-propylajmalan-4-ium 3-carboxy-2,3-dihydroxypropanoate?
The molecular weight of 10-Bromo-17,21-dihydroxy-4-propylajmalan-4-ium 3-carboxy-2,3-dihydroxypropanoate is 596.17 g/mol.
Where can I buy 10-Bromo-17,21-dihydroxy-4-propylajmalan-4-ium 3-carboxy-2,3-dihydroxypropanoate?
You can request a quote for 10-Bromo-17,21-dihydroxy-4-propylajmalan-4-ium 3-carboxy-2,3-dihydroxypropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 10-Bromo-17,21-dihydroxy-4-propylajmalan-4-ium 3-carboxy-2,3-dihydroxypropanoate?
Yes, KEHONG BIO provides custom synthesis services for 10-Bromo-17,21-dihydroxy-4-propylajmalan-4-ium 3-carboxy-2,3-dihydroxypropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.