Migraeflux-orange
TL;DR: Migraeflux-orange (CAS 78168-91-9) is a chemical compound with molecular formula C50H61ClN7O12P and molecular weight 1017.38 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;2-benzhydryloxy-N,N-dimethylethanamine;8-chloro-1,3-dimethyl-7H-purine-2,6-dione;N-(4-hydroxyphenyl)acetamide;phosphoric acid
Also Known As: Migraeflux-orange, Acetaminophen mixture with codeine phosphate and dimenhydrinate, (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;2-benzhydryloxy-N,N-dimethylethanamine;8-chloro-1,3-dimethyl-7H-purine-2,6-dione;N-(4-hydroxyphenyl)acetamide;phosphoric acid, Morphinan-6-ol, 7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-, (5alpha,6alpha)-, phosphate (1:1) (salt), mixt. with 8-chloro-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione compd. with 2-(diphenylmethoxy)-N,N-dimethylethanamine (1:1) and N-(4-hydroxyphenyl)acetamide
| Molecular Formula | C50H61ClN7O12P |
|---|---|
| Molecular Weight | 1017.38 g/mol |
| LogP | 4.891 |
| Topological Polar Surface Area | 254.17 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 1017.38043 |
| Heavy Atoms | 71 |
| Complexity | 2916.1182 |
Chemical Identifiers
| CAS Number | 78168-91-9 |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)O.CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O.CN1C2=C(C(=O)N(C1=O)C)NC(=N2)Cl.CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2.OP(=O)(O)O |
Product Overview
Migraeflux-orange (CAS 78168-91-9), with molecular formula C50H61ClN7O12P and molecular weight 1017.38 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;2-benzhydryloxy-N,N-dimethylethanamine;8-chloro-1,3-dimethyl-7H-purine-2,6-dione;N-(4-hydroxyphenyl)acetamide;phosphoric acid.
Chemical Property Profile of Migraeflux-orange
Property Insights of Migraeflux-orange
The XLogP value of 4.891 indicates that Migraeflux-orange is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 254.17 Ų indicates high polarity, suggesting Migraeflux-orange may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Migraeflux-orange has 7 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Migraeflux-orange?
The CAS number of Migraeflux-orange is 78168-91-9.
What is the molecular formula of Migraeflux-orange?
The molecular formula of Migraeflux-orange is C50H61ClN7O12P.
What is the molecular weight of Migraeflux-orange?
The molecular weight of Migraeflux-orange is 1017.38 g/mol.
Where can I buy Migraeflux-orange?
You can request a quote for Migraeflux-orange directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Migraeflux-orange?
Yes, KEHONG BIO provides custom synthesis services for Migraeflux-orange and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.