罗库溴铵
TL;DR: 罗库溴铵 (CAS 119302-91-9) is a chemical compound with molecular formula C32H53BrN2O4 and molecular weight 608.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
罗库溴铵
[(2S,3S,10S,13S,16S,17R)-3-hydroxy-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]phenanthren-17-yl] acetate bromide
Also Known As: Zemuron, Rocuronium, ROCURONIUM BROMIDE, ZEMURON (P/F), ORG 9426
| Molecular Formula | C32H53BrN2O4 |
|---|---|
| Molecular Weight | 608.32 g/mol |
| LogP | 1.41 |
| Topological Polar Surface Area | 59.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 608.31885 |
| Heavy Atoms | 39 |
| Complexity | 898.0 |
Chemical Identifiers
| CAS Number | 119302-91-9 |
|---|---|
| SMILES | CC(=O)O[C@H]1[C@H](CC2[C@@]1(CCC3C2CCC4[C@@]3(C[C@@H]([C@H](C4)O)N5CCOCC5)C)C)[N+]6(CCCC6)CC=C.[Br-] |
| InChIKey | OYTJKRAYGYRUJK-FKEZLKRZSA-M |
Product Overview
罗库溴铵 (CAS 119302-91-9), with molecular formula C32H53BrN2O4 and molecular weight 608.32 g/mol. IUPAC: [(2S,3S,10S,13S,16S,17R)-3-hydroxy-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]phenanthren-17-yl] acetate bromide.
Chemical Property Profile of 罗库溴铵
Property Insights of 罗库溴铵
The XLogP value of 1.41 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 罗库溴铵. With a topological polar surface area (TPSA) of 59.0 Ų, 罗库溴铵 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 罗库溴铵 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 罗库溴铵?
The CAS number of 罗库溴铵 is 119302-91-9.
What is the molecular formula of 罗库溴铵?
The molecular formula of 罗库溴铵 is C32H53BrN2O4.
What is the molecular weight of 罗库溴铵?
The molecular weight of 罗库溴铵 is 608.32 g/mol.
Where can I buy 罗库溴铵?
You can request a quote for 罗库溴铵 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 罗库溴铵?
Yes, KEHONG BIO provides custom synthesis services for 罗库溴铵 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.