Desacetylrocuronium
TL;DR: Desacetylrocuronium (CAS 738548-78-2) is a chemical compound with molecular formula C30H51N2O3+ and molecular weight 487.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-10,13-dimethyl-2-morpholin-4-yl-16-(1-prop-2-enylpyrrolidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
Also Known As: Desacetylrocuronium, Desacetylrocuronium ion, Desacetylrocuronium cation, 17-Desacetylrocuronium, J1.537.954E
| Molecular Formula | C30H51N2O3+ |
|---|---|
| Molecular Weight | 487.39 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 52.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 487.38995 |
| Heavy Atoms | 35 |
| Complexity | 792.0 |
Chemical Identifiers
| CAS Number | 738548-78-2 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@@H]([C@@H]2O)[N+]4(CCCC4)CC=C)CC[C@@H]5[C@@]3(C[C@@H]([C@H](C5)O)N6CCOCC6)C |
| InChIKey | IHSGDUHUXOPCHC-GUGJMVMRSA-N |
Product Overview
Desacetylrocuronium (CAS 738548-78-2), with molecular formula C30H51N2O3+ and molecular weight 487.39 g/mol. IUPAC: (2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-10,13-dimethyl-2-morpholin-4-yl-16-(1-prop-2-enylpyrrolidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol.
Chemical Property Profile of Desacetylrocuronium
Property Insights of Desacetylrocuronium
The XLogP value of 4.5 indicates that Desacetylrocuronium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.9 Ų, Desacetylrocuronium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Desacetylrocuronium has 2 hydrogen bond donor(s) and 4 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 Desacetylrocuronium?
The CAS number of Desacetylrocuronium is 738548-78-2.
What is the molecular formula of Desacetylrocuronium?
The molecular formula of Desacetylrocuronium is C30H51N2O3+.
What is the molecular weight of Desacetylrocuronium?
The molecular weight of Desacetylrocuronium is 487.39 g/mol.
Where can I buy Desacetylrocuronium?
You can request a quote for Desacetylrocuronium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Desacetylrocuronium?
Yes, KEHONG BIO provides custom synthesis services for Desacetylrocuronium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.