Quadazocine mesylate
TL;DR: Quadazocine mesylate (CAS 71276-44-3) is a chemical compound with molecular formula C26H41NO5S and molecular weight 479.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-cyclopentyl-5-[(1R,9S)-4-hydroxy-1,10,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-yl]pentan-3-one;methanesulfonic acid
Also Known As: Quadazocine mesylate, Quadazocine mesilate, Win 44,441-3, WIN-44441-3, Methanesulfonic acid--1-cyclopentyl-5-(8-hydroxy-3,6,11-trimethyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-11-yl)pentan-3-one (1/1)
| Molecular Formula | C26H41NO5S |
|---|---|
| Molecular Weight | 479.27 g/mol |
| LogP | 4.7401 |
| Topological Polar Surface Area | 94.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 479.27054 |
| Heavy Atoms | 33 |
| Complexity | 947.42896 |
Chemical Identifiers
| CAS Number | 71276-44-3 |
|---|---|
| SMILES | C[C@]12CCN([C@H](C1(C)CCC(=O)CCC3CCCC3)CC4=C2C=C(C=C4)O)C.CS(=O)(=O)O |
Product Overview
Quadazocine mesylate (CAS 71276-44-3), with molecular formula C26H41NO5S and molecular weight 479.27 g/mol. IUPAC: 1-cyclopentyl-5-[(1R,9S)-4-hydroxy-1,10,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-yl]pentan-3-one;methanesulfonic acid.
Chemical Property Profile of Quadazocine mesylate
Property Insights of Quadazocine mesylate
The XLogP value of 4.7401 indicates that Quadazocine mesylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.91 Ų falls within the moderate polarity range, balancing permeability and solubility for Quadazocine mesylate. Following Lipinski's Rule of Five, Quadazocine mesylate has 2 hydrogen bond donor(s) and 5 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 Quadazocine mesylate?
The CAS number of Quadazocine mesylate is 71276-44-3.
What is the molecular formula of Quadazocine mesylate?
The molecular formula of Quadazocine mesylate is C26H41NO5S.
What is the molecular weight of Quadazocine mesylate?
The molecular weight of Quadazocine mesylate is 479.27 g/mol.
Where can I buy Quadazocine mesylate?
You can request a quote for Quadazocine mesylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Quadazocine mesylate?
Yes, KEHONG BIO provides custom synthesis services for Quadazocine mesylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.