Strophanthidine-19-carbonic acid-ajmaline bromide methyl ether
TL;DR: Strophanthidine-19-carbonic acid-ajmaline bromide methyl ether (CAS 83036-86-6) is a chemical compound with molecular formula C67H88Br2N4O11 and molecular weight 1282.48 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[16-[2-(13-ethyl-14,18-dihydroxy-8-methyl-8-aza-15-azoniahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-trien-15-yl)acetyl]oxy-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] 2-(13-ethyl-14,18-dihydroxy-8-methyl-8-aza-15-azoniahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-trien-15-yl)acetate dibromide
Also Known As: Strophanthidine-19-carbonic acid-ajmaline bromide methyl ether, Ajmalanium, 4,4'-((3-beta,5-beta,14-beta,16-beta)-21,23-epoxy-14-hydroxy-23-oxo-24-norchol-20(22)-ene-3,16-diyl)bis(oxy(2-oxo-2,1-ethanediyl))bis(17,21-dihydroxy-, dibromide, (17R,21-alpha)-(17'R,21'-alpha)-
| Molecular Formula | C67H88Br2N4O11 |
|---|---|
| Molecular Weight | 1282.48 g/mol |
| LogP | -0.1493 |
| Topological Polar Surface Area | 186.53 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 9 |
| Exact Mass | 1282.4817 |
| Heavy Atoms | 84 |
| Complexity | 3153.4692 |
Chemical Identifiers
| CAS Number | 83036-86-6 |
|---|---|
| SMILES | CCC1C2CC3C4C5(CC(C2C5O)[N+]3(C1O)CC(=O)OC6CCC7(C(C6)CCC8C7CCC9(C8(CC(C9C1=CC(=O)OC1)OC(=O)C[N+]12C3CC(C(C1O)CC)C1C2CC2(C3N(C3=CC=CC=C32)C)C1O)O)C)C)C1=CC=CC=C1N4C.[Br-].[Br-] |
Product Overview
Strophanthidine-19-carbonic acid-ajmaline bromide methyl ether (CAS 83036-86-6), with molecular formula C67H88Br2N4O11 and molecular weight 1282.48 g/mol. IUPAC: [16-[2-(13-ethyl-14,18-dihydroxy-8-methyl-8-aza-15-azoniahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-trien-15-yl)acetyl]oxy-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] 2-(13-ethyl-14,18-dihydroxy-8-methyl-8-aza-15-azoniahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-trien-15-yl)acetate dibromide.
Chemical Property Profile of Strophanthidine-19-carbonic acid-ajmaline bromide methyl ether
Property Insights of Strophanthidine-19-carbonic acid-ajmaline bromide methyl ether
The XLogP value of -0.1493 indicates that Strophanthidine-19-carbonic acid-ajmaline bromide methyl ether is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 186.53 Ų indicates high polarity, suggesting Strophanthidine-19-carbonic acid-ajmaline bromide methyl ether may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Strophanthidine-19-carbonic acid-ajmaline bromide methyl ether has 5 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Strophanthidine-19-carbonic acid-ajmaline bromide methyl ether?
The CAS number of Strophanthidine-19-carbonic acid-ajmaline bromide methyl ether is 83036-86-6.
What is the molecular formula of Strophanthidine-19-carbonic acid-ajmaline bromide methyl ether?
The molecular formula of Strophanthidine-19-carbonic acid-ajmaline bromide methyl ether is C67H88Br2N4O11.
What is the molecular weight of Strophanthidine-19-carbonic acid-ajmaline bromide methyl ether?
The molecular weight of Strophanthidine-19-carbonic acid-ajmaline bromide methyl ether is 1282.48 g/mol.
Where can I buy Strophanthidine-19-carbonic acid-ajmaline bromide methyl ether?
You can request a quote for Strophanthidine-19-carbonic acid-ajmaline bromide methyl ether directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Strophanthidine-19-carbonic acid-ajmaline bromide methyl ether?
Yes, KEHONG BIO provides custom synthesis services for Strophanthidine-19-carbonic acid-ajmaline bromide methyl ether and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.