中乌头碱氢溴酸盐
TL;DR: 中乌头碱氢溴酸盐 (CAS 71425-64-4) is a chemical compound with molecular formula C33H46BrNO11 and molecular weight 711.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
中乌头碱氢溴酸盐
[(2R,3R,5R,6S,8R,10R,17S)-8-acetyloxy-5,7,14-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-methyl-11-azoniahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate bromide
Also Known As: Mesaconitine hydrobromide, Aconitane-3,8,13,14,15-pentol, 4-(methoxymethyl)-20-methyl-1,6,16-trimethoxy-, 8-acetate 14-benzoate, hydrobromide, (1-alpha,3-alpha,6-alpha,14-alpha,15-alpha,16-beta)-
| Molecular Formula | C33H46BrNO11 |
|---|---|
| Molecular Weight | 711.23 g/mol |
| LogP | -4.16 |
| Topological Polar Surface Area | 155.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 10 |
| Exact Mass | 711.2254 |
| Heavy Atoms | 46 |
| Complexity | 1200.0 |
Chemical Identifiers
| CAS Number | 71425-64-4 |
|---|---|
| SMILES | CC(=O)O[C@@]12[C@@H]3[C@@H](C[C@@](C3OC(=O)C4=CC=CC=C4)([C@H](C1O)OC)O)C56[C@@H]7C(C2[C@H]5[NH+](CC7(C(CC6OC)O)COC)C)OC.[Br-] |
| InChIKey | BQESRYPXHSPANU-OYWJMVQSSA-N |
Product Overview
中乌头碱氢溴酸盐 (CAS 71425-64-4), with molecular formula C33H46BrNO11 and molecular weight 711.23 g/mol. IUPAC: [(2R,3R,5R,6S,8R,10R,17S)-8-acetyloxy-5,7,14-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-methyl-11-azoniahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate bromide.
Chemical Property Profile of 中乌头碱氢溴酸盐
Property Insights of 中乌头碱氢溴酸盐
The XLogP value of -4.16 indicates that 中乌头碱氢溴酸盐 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 155.0 Ų indicates high polarity, suggesting 中乌头碱氢溴酸盐 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 中乌头碱氢溴酸盐 has 4 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 中乌头碱氢溴酸盐?
The CAS number of 中乌头碱氢溴酸盐 is 71425-64-4.
What is the molecular formula of 中乌头碱氢溴酸盐?
The molecular formula of 中乌头碱氢溴酸盐 is C33H46BrNO11.
What is the molecular weight of 中乌头碱氢溴酸盐?
The molecular weight of 中乌头碱氢溴酸盐 is 711.23 g/mol.
Where can I buy 中乌头碱氢溴酸盐?
You can request a quote for 中乌头碱氢溴酸盐 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 中乌头碱氢溴酸盐?
Yes, KEHONG BIO provides custom synthesis services for 中乌头碱氢溴酸盐 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.