Diallylnormorphinium bromide
TL;DR: Diallylnormorphinium bromide (CAS 69576-07-4) is a chemical compound with molecular formula C22H26BrNO3 and molecular weight 431.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R,4aR,7S,7aR,12bS)-3,3-bis(prop-2-enyl)-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-7,9-diol bromide
Also Known As: Diallylnormorphine, Diallylnormorphinium bromide, (4R,4aR,7S,7aR,12bS)-3,3-bis(prop-2-enyl)-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-7,9-diol;bromide, Morphinanium, 7,8-didehydro-4,5-epoxy-3,6-dihydroxy-17,17-di-2-propenyl-, bromide, (5alpha,6alpha)-, RefChem:132605
| Molecular Formula | C22H26BrNO3 |
|---|---|
| Molecular Weight | 431.11 g/mol |
| LogP | -0.5409 |
| Topological Polar Surface Area | 49.69 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 431.10962 |
| Heavy Atoms | 27 |
| Complexity | 825.092 |
Chemical Identifiers
| CAS Number | 69576-07-4 |
|---|---|
| SMILES | C=CC[N+]1(CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O)CC=C.[Br-] |
Product Overview
Diallylnormorphinium bromide (CAS 69576-07-4), with molecular formula C22H26BrNO3 and molecular weight 431.11 g/mol. IUPAC: (4R,4aR,7S,7aR,12bS)-3,3-bis(prop-2-enyl)-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-7,9-diol bromide.
Chemical Property Profile of Diallylnormorphinium bromide
Property Insights of Diallylnormorphinium bromide
The XLogP value of -0.5409 indicates that Diallylnormorphinium bromide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 49.69 Ų, Diallylnormorphinium bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diallylnormorphinium bromide has 2 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 Diallylnormorphinium bromide?
The CAS number of Diallylnormorphinium bromide is 69576-07-4.
What is the molecular formula of Diallylnormorphinium bromide?
The molecular formula of Diallylnormorphinium bromide is C22H26BrNO3.
What is the molecular weight of Diallylnormorphinium bromide?
The molecular weight of Diallylnormorphinium bromide is 431.11 g/mol.
Where can I buy Diallylnormorphinium bromide?
You can request a quote for Diallylnormorphinium bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diallylnormorphinium bromide?
Yes, KEHONG BIO provides custom synthesis services for Diallylnormorphinium bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.