阿曲庫銨
TL;DR: 阿曲庫銨 (CAS 64228-81-5) is a chemical compound with molecular formula C65H82N2O18S2 and molecular weight 1242.50 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
阿曲庫銨
benzenesulfonate;5-[3-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoyloxy]pentyl 3-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoate
Also Known As: Atracurium besylate, Atracurium besilate, Tracrium, Nimbex, Atracurii besilas
| Molecular Formula | C65H82N2O18S2 |
|---|---|
| Molecular Weight | 1242.50 g/mol |
| LogP | 9.25 |
| Topological Polar Surface Area | 258.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 26 |
| Exact Mass | 1242.5004 |
| Heavy Atoms | 87 |
| Complexity | 1560.0 |
| Melting Point | 85-90 |
| Solubility | Miscible |
Chemical Identifiers
| CAS Number | 64228-81-5 |
|---|---|
| SMILES | C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC)OC)OC)CCC(=O)OCCCCCOC(=O)CC[N+]4(CCC5=CC(=C(C=C5C4CC6=CC(=C(C=C6)OC)OC)OC)OC)C.C1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)S(=O)(=O)[O-] |
| InChIKey | XXZSQOVSEBAPGS-UHFFFAOYSA-L |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
阿曲庫銨 (CAS 64228-81-5), with molecular formula C65H82N2O18S2 and molecular weight 1242.50 g/mol. IUPAC: benzenesulfonate;5-[3-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoyloxy]pentyl 3-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoate.
Chemical Property Profile of 阿曲庫銨
Property Insights of 阿曲庫銨
The XLogP value of 9.25 indicates that 阿曲庫銨 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 258.0 Ų indicates high polarity, suggesting 阿曲庫銨 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 阿曲庫銨 has 0 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 阿曲庫銨?
The CAS number of 阿曲庫銨 is 64228-81-5.
What is the molecular formula of 阿曲庫銨?
The molecular formula of 阿曲庫銨 is C65H82N2O18S2.
What is the molecular weight of 阿曲庫銨?
The molecular weight of 阿曲庫銨 is 1242.50 g/mol.
Where can I buy 阿曲庫銨?
You can request a quote for 阿曲庫銨 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 阿曲庫銨?
Yes, KEHONG BIO provides custom synthesis services for 阿曲庫銨 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.