Contrapect
TL;DR: Contrapect (CAS 76095-55-1) is a chemical compound with molecular formula C46H60Cl2N4O10PS-3 and molecular weight 961.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R,4aR,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;N,N-dimethyl-1-phenothiazin-10-ylpropan-2-amine;4-[2-(ethylamino)-1-hydroxypropyl]benzene-1,2-diol;phosphate;dihydrochloride
Also Known As: Contrapect, Dioxethedrin Hydrochloride, Codeine / dioxethedrin / promethazine, Dioxethedrine - codeine - promethazine combination, Codeine / dioxethedrin hydrochloride / promethazine phosphate
| Molecular Formula | C46H60Cl2N4O10PS-3 |
|---|---|
| Molecular Weight | 961.31 g/mol |
| LogP | 4.8887 |
| Topological Polar Surface Area | 207.38 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 8 |
| Exact Mass | 961.31445 |
| Heavy Atoms | 64 |
| Complexity | 2218.2334 |
Chemical Identifiers
| CAS Number | 76095-55-1 |
|---|---|
| SMILES | CCNC(C)C(C1=CC(=C(C=C1)O)O)O.CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)N(C)C.CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O.[O-]P(=O)([O-])[O-].Cl.Cl |
Product Overview
Contrapect (CAS 76095-55-1), with molecular formula C46H60Cl2N4O10PS-3 and molecular weight 961.31 g/mol. IUPAC: (4R,4aR,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;N,N-dimethyl-1-phenothiazin-10-ylpropan-2-amine;4-[2-(ethylamino)-1-hydroxypropyl]benzene-1,2-diol;phosphate;dihydrochloride.
Chemical Property Profile of Contrapect
Property Insights of Contrapect
The XLogP value of 4.8887 indicates that Contrapect is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 207.38 Ų indicates high polarity, suggesting Contrapect may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Contrapect has 5 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Contrapect?
The CAS number of Contrapect is 76095-55-1.
What is the molecular formula of Contrapect?
The molecular formula of Contrapect is C46H60Cl2N4O10PS-3.
What is the molecular weight of Contrapect?
The molecular weight of Contrapect is 961.31 g/mol.
Where can I buy Contrapect?
You can request a quote for Contrapect directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Contrapect?
Yes, KEHONG BIO provides custom synthesis services for Contrapect and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.