Morphinan-3,8-beta-diol, 6,7-didehydro-4,5-alpha-epoxy-17-methyl-, acetate
TL;DR: Morphinan-3,8-beta-diol, 6,7-didehydro-4,5-alpha-epoxy-17-methyl-, acetate (CAS 63690-07-3) is a chemical compound with molecular formula C19H21NO4 and molecular weight 327.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(4R,4aR,5S,7aS,12bS)-9-hydroxy-3-methyl-2,4,4a,5,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-5-yl] acetate
Also Known As: Monoacetyl-beta-isomorphine, beta-Isomorphine, acetyl-, beta-Isomorphine, monoacetyl-, Morphinan-3,8-beta-diol, 6,7-didehydro-4,5-alpha-epoxy-17-methyl-, acetate, 3-Hydroxy-17-methyl-5alpha-6,7-didehydro-4,5-epoxymorphinan-8beta-yl acetate
| Molecular Formula | C19H21NO4 |
|---|---|
| Molecular Weight | 327.15 g/mol |
| LogP | 1.7689 |
| Topological Polar Surface Area | 59.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 327.14706 |
| Heavy Atoms | 24 |
| Complexity | 772.8754 |
Chemical Identifiers
| CAS Number | 63690-07-3 |
|---|---|
| SMILES | CC(=O)O[C@H]1C=C[C@H]2[C@@]34[C@@H]1[C@@H](CC5=C3C(=C(C=C5)O)O2)N(CC4)C |
Product Overview
Morphinan-3,8-beta-diol, 6,7-didehydro-4,5-alpha-epoxy-17-methyl-, acetate (CAS 63690-07-3), with molecular formula C19H21NO4 and molecular weight 327.15 g/mol. IUPAC: [(4R,4aR,5S,7aS,12bS)-9-hydroxy-3-methyl-2,4,4a,5,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-5-yl] acetate.
Chemical Property Profile of Morphinan-3,8-beta-diol, 6,7-didehydro-4,5-alpha-epoxy-17-methyl-, acetate
Property Insights of Morphinan-3,8-beta-diol, 6,7-didehydro-4,5-alpha-epoxy-17-methyl-, acetate
The XLogP value of 1.7689 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Morphinan-3,8-beta-diol, 6,7-didehydro-4,5-alpha-epoxy-17-methyl-, acetate. With a topological polar surface area (TPSA) of 59.0 Ų, Morphinan-3,8-beta-diol, 6,7-didehydro-4,5-alpha-epoxy-17-methyl-, acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Morphinan-3,8-beta-diol, 6,7-didehydro-4,5-alpha-epoxy-17-methyl-, acetate has 1 hydrogen bond donor(s) and 5 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 Morphinan-3,8-beta-diol, 6,7-didehydro-4,5-alpha-epoxy-17-methyl-, acetate?
The CAS number of Morphinan-3,8-beta-diol, 6,7-didehydro-4,5-alpha-epoxy-17-methyl-, acetate is 63690-07-3.
What is the molecular formula of Morphinan-3,8-beta-diol, 6,7-didehydro-4,5-alpha-epoxy-17-methyl-, acetate?
The molecular formula of Morphinan-3,8-beta-diol, 6,7-didehydro-4,5-alpha-epoxy-17-methyl-, acetate is C19H21NO4.
What is the molecular weight of Morphinan-3,8-beta-diol, 6,7-didehydro-4,5-alpha-epoxy-17-methyl-, acetate?
The molecular weight of Morphinan-3,8-beta-diol, 6,7-didehydro-4,5-alpha-epoxy-17-methyl-, acetate is 327.15 g/mol.
Where can I buy Morphinan-3,8-beta-diol, 6,7-didehydro-4,5-alpha-epoxy-17-methyl-, acetate?
You can request a quote for Morphinan-3,8-beta-diol, 6,7-didehydro-4,5-alpha-epoxy-17-methyl-, acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Morphinan-3,8-beta-diol, 6,7-didehydro-4,5-alpha-epoxy-17-methyl-, acetate?
Yes, KEHONG BIO provides custom synthesis services for Morphinan-3,8-beta-diol, 6,7-didehydro-4,5-alpha-epoxy-17-methyl-, acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.