3-Hydroxyvecuronium
TL;DR: 3-Hydroxyvecuronium (CAS 74041-85-3) is a chemical compound with molecular formula C32H55N2O3+ and molecular weight 515.42 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,3S,5S,10S,13S,16S,17R)-3-hydroxy-10,13-dimethyl-16-(1-methylpiperidin-1-ium-1-yl)-2-piperidin-1-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
Also Known As: 3-Hydroxyvecuronium, KST-1A8174, (2, A,3, A,5
| Molecular Formula | C32H55N2O3+ |
|---|---|
| Molecular Weight | 515.42 g/mol |
| LogP | 6.0 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 515.42126 |
| Heavy Atoms | 37 |
| Complexity | 851.0 |
Chemical Identifiers
| CAS Number | 74041-85-3 |
|---|---|
| SMILES | CC(=O)O[C@H]1[C@H](CC2[C@@]1(CCC3C2CC[C@@H]4[C@@]3(C[C@@H]([C@H](C4)O)N5CCCCC5)C)C)[N+]6(CCCCC6)C |
| InChIKey | KHTHYBVBGJQSIO-FUYRPLHRSA-N |
Product Overview
3-Hydroxyvecuronium (CAS 74041-85-3), with molecular formula C32H55N2O3+ and molecular weight 515.42 g/mol. IUPAC: [(2S,3S,5S,10S,13S,16S,17R)-3-hydroxy-10,13-dimethyl-16-(1-methylpiperidin-1-ium-1-yl)-2-piperidin-1-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate.
Chemical Property Profile of 3-Hydroxyvecuronium
Property Insights of 3-Hydroxyvecuronium
The XLogP value of 6.0 indicates that 3-Hydroxyvecuronium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.8 Ų, 3-Hydroxyvecuronium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hydroxyvecuronium has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Hydroxyvecuronium?
The CAS number of 3-Hydroxyvecuronium is 74041-85-3.
What is the molecular formula of 3-Hydroxyvecuronium?
The molecular formula of 3-Hydroxyvecuronium is C32H55N2O3+.
What is the molecular weight of 3-Hydroxyvecuronium?
The molecular weight of 3-Hydroxyvecuronium is 515.42 g/mol.
Where can I buy 3-Hydroxyvecuronium?
You can request a quote for 3-Hydroxyvecuronium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxyvecuronium?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxyvecuronium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.