clocinnamox
TL;DR: clocinnamox (CAS 117332-69-1) is a chemical compound with molecular formula C30H33ClN2O7S and molecular weight 600.1697 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(4R,4aS,7aR,12bR)-3-(cyclopropylmethyl)-9-hydroxy-7-oxo-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-4a-yl]-3-(4-chlorophenyl)prop-2-enamide;methanesulfonic acid
Also Known As: clocinnamox, Clocinnamox mesylate, 2-Propenamide, 3-(4-chlorophenyl)-N-[(5alpha)-17-(cyclopropylmethyl)-4,5-epoxy-3-hydroxy-6-oxomorphinan-14-yl]-, methanesulfonate (1:1)
Technical Specifications
| Molecular Formula | C30H33ClN2O7S |
| Molecular Weight | 600.1697 g/mol |
| XLogP | 3.5201 |
| Topological Polar Surface Area (TPSA) | 142.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 600.1697 Da |
| Heavy Atoms | 41 |
| Complexity | 1040.0 |
| SMILES | CS(=O)(=O)O.C1CC1CN2CC[C@]34[C@@H]5C(=O)CC[C@]3([C@H]2CC6=C4C(=C(C=C6)O)O5)NC(=O)C=CC7=CC=C(C=C7)Cl |
| InChIKey | XAXNKAGAUFXFDO-VERRCQTKSA-N |
Chemical Property Profile of clocinnamox
Property Insights of clocinnamox
The XLogP value of 3.5201 indicates that clocinnamox is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 142.0 Ų indicates high polarity, suggesting clocinnamox may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, clocinnamox has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of clocinnamox?
The CAS number of clocinnamox is 117332-69-1.
What is the molecular formula of clocinnamox?
The molecular formula of clocinnamox is C30H33ClN2O7S.
What is the molecular weight of clocinnamox?
The molecular weight of clocinnamox is 600.1697 g/mol.
Where can I buy clocinnamox?
You can request a quote for clocinnamox directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for clocinnamox?
Yes, CoreyChem provides custom synthesis services for clocinnamox and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.