clocinnamox
TL;DR: clocinnamox (CAS 117332-69-1) is a chemical compound with molecular formula C30H33ClN2O7S and molecular weight 600.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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)
| Molecular Formula | C30H33ClN2O7S |
|---|---|
| Molecular Weight | 600.17 g/mol |
| LogP | 3.5201 |
| Topological Polar Surface Area | 133.24 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 600.1697 |
| Heavy Atoms | 41 |
| Complexity | 1530.5558 |
Chemical Identifiers
| CAS Number | 117332-69-1 |
|---|---|
| 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 |
Product Overview
clocinnamox (CAS 117332-69-1), with molecular formula C30H33ClN2O7S and molecular weight 600.17 g/mol. IUPAC: 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.
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 133.24 Ų falls within the moderate polarity range, balancing permeability and solubility for clocinnamox. Following Lipinski's Rule of Five, clocinnamox has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
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 600.17 g/mol.
Where can I buy clocinnamox?
You can request a quote for clocinnamox directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for clocinnamox?
Yes, KEHONG BIO provides custom synthesis services for clocinnamox and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.