2'-Dehydropipecuronium
TL;DR: 2'-Dehydropipecuronium (CAS 120301-02-2) is a chemical compound with molecular formula C35H60Br2N4O4 and molecular weight 758.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,3S,5S,10S,13S,17R)-17-acetyloxy-16-(4,4-dimethyl-2,3-dihydropyrazin-4-ium-1-yl)-2-(4,4-dimethylpiperazin-4-ium-1-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate dibromide
Also Known As: 2'-Dehydropipecuronium, 2/'-Dehydropipecuronium, 2'-Dehydropipecuronium bromide, [(2S,3S,5S,10S,13S,17R)-17-acetyloxy-16-(4,4-dimethyl-2,3-dihydropyrazin-4-ium-1-yl)-2-(4,4-dimethylpiperazin-4-ium-1-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate;dibromide, (8xi,9xi,14xi)-3alpha,17beta-Bis(acetyloxy)-16-(4,4-dimethyl-3,4-dihydropyrazin-4-ium-1(2H)-yl)-2beta-(4,4-dimethylpiperazin-4-ium-1-yl)-5alpha-androstane dibromide
| Molecular Formula | C35H60Br2N4O4 |
|---|---|
| Molecular Weight | 758.30 g/mol |
| LogP | -1.8873 |
| Topological Polar Surface Area | 59.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 758.29816 |
| Heavy Atoms | 45 |
| Complexity | 1110.0 |
Chemical Identifiers
| CAS Number | 120301-02-2 |
|---|---|
| SMILES | CC(=O)O[C@H]1C[C@@H]2CCC3C([C@]2(C[C@@H]1N4CC[N+](CC4)(C)C)C)CC[C@]5(C3CC([C@@H]5OC(=O)C)N6CC[N+](C=C6)(C)C)C.[Br-].[Br-] |
| InChIKey | SNFVBPSRBTWAIZ-ASRDMXTLSA-L |
Product Overview
2'-Dehydropipecuronium (CAS 120301-02-2), with molecular formula C35H60Br2N4O4 and molecular weight 758.30 g/mol. IUPAC: [(2S,3S,5S,10S,13S,17R)-17-acetyloxy-16-(4,4-dimethyl-2,3-dihydropyrazin-4-ium-1-yl)-2-(4,4-dimethylpiperazin-4-ium-1-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate dibromide.
Chemical Property Profile of 2'-Dehydropipecuronium
Property Insights of 2'-Dehydropipecuronium
The XLogP value of -1.8873 indicates that 2'-Dehydropipecuronium is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 59.1 Ų, 2'-Dehydropipecuronium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2'-Dehydropipecuronium has 0 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 2'-Dehydropipecuronium?
The CAS number of 2'-Dehydropipecuronium is 120301-02-2.
What is the molecular formula of 2'-Dehydropipecuronium?
The molecular formula of 2'-Dehydropipecuronium is C35H60Br2N4O4.
What is the molecular weight of 2'-Dehydropipecuronium?
The molecular weight of 2'-Dehydropipecuronium is 758.30 g/mol.
Where can I buy 2'-Dehydropipecuronium?
You can request a quote for 2'-Dehydropipecuronium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2'-Dehydropipecuronium?
Yes, KEHONG BIO provides custom synthesis services for 2'-Dehydropipecuronium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.