Ethylmorphine methiodide
TL;DR: Ethylmorphine methiodide (CAS 6696-59-9) is a chemical compound with molecular formula C20H26INO3 and molecular weight 455.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R,4aR,7S,7aR,12bS)-9-ethoxy-3,3-dimethyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-7-ol iodide
Also Known As: Trachyl, Ethylmorphine methiodide, EINECS 229-742-5, ETHYLMORPHINE IODOMETHYLATE, ETHYL-N-METHYLMORPHINIUM IODIDE
| Molecular Formula | C20H26INO3 |
|---|---|
| Molecular Weight | 455.10 g/mol |
| LogP | -0.9602 |
| Topological Polar Surface Area | 38.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 455.09573 |
| Heavy Atoms | 25 |
| Complexity | 746.70197 |
Chemical Identifiers
| CAS Number | 6696-59-9 |
|---|---|
| SMILES | CCOC1=C2C3=C(C[C@@H]4[C@H]5[C@]3(CC[N+]4(C)C)[C@@H](O2)[C@H](C=C5)O)C=C1.[I-] |
Product Overview
Ethylmorphine methiodide (CAS 6696-59-9), with molecular formula C20H26INO3 and molecular weight 455.10 g/mol. IUPAC: (4R,4aR,7S,7aR,12bS)-9-ethoxy-3,3-dimethyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-7-ol iodide.
Chemical Property Profile of Ethylmorphine methiodide
Property Insights of Ethylmorphine methiodide
The XLogP value of -0.9602 indicates that Ethylmorphine methiodide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 38.69 Ų, Ethylmorphine methiodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethylmorphine methiodide has 1 hydrogen bond donor(s) and 3 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 Ethylmorphine methiodide?
The CAS number of Ethylmorphine methiodide is 6696-59-9.
What is the molecular formula of Ethylmorphine methiodide?
The molecular formula of Ethylmorphine methiodide is C20H26INO3.
What is the molecular weight of Ethylmorphine methiodide?
The molecular weight of Ethylmorphine methiodide is 455.10 g/mol.
Where can I buy Ethylmorphine methiodide?
You can request a quote for Ethylmorphine methiodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethylmorphine methiodide?
Yes, KEHONG BIO provides custom synthesis services for Ethylmorphine methiodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.