4-Hydroxy-1-(4-hydroxy-3,7-dimethoxy-17-methyl-6-oxo-7,8-didehydromorphinan-1-yl)-3,7-dimethoxy-17-methyl-7,8-didehydromorphinan-6-one
TL;DR: 4-Hydroxy-1-(4-hydroxy-3,7-dimethoxy-17-methyl-6-oxo-7,8-didehydromorphinan-1-yl)-3,7-dimethoxy-17-methyl-7,8-didehydromorphinan-6-one (CAS 596-58-7) is a chemical compound with molecular formula C38H44N2O8 and molecular weight 656.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxy-6-(3-hydroxy-4,12-dimethoxy-17-methyl-13-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraen-6-yl)-4,12-dimethoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraen-13-one
Also Known As: 4-Hydroxy-1-(4-hydroxy-3,7-dimethoxy-17-methyl-6-oxo-7,8-didehydromorphinan-1-yl)-3,7-dimethoxy-17-methyl-7,8-didehydromorphinan-6-one, hydroxy-(hydroxy-dimethoxy-methyl-oxo-[?]yl)-dimethoxy-methyl-[?]one
| Molecular Formula | C38H44N2O8 |
|---|---|
| Molecular Weight | 656.31 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 656.30975 |
| Heavy Atoms | 48 |
| Complexity | 1280.0 |
Chemical Identifiers
| CAS Number | 596-58-7 |
|---|---|
| SMILES | CN1CCC23CC(=O)C(=CC2C1CC4=C3C(=C(C=C4C5=CC(=C(C6=C5CC7C8C6(CCN7C)CC(=O)C(=C8)OC)O)OC)OC)O)OC |
| InChIKey | AXVVWZONCVUAPP-UHFFFAOYSA-N |
Product Overview
4-Hydroxy-1-(4-hydroxy-3,7-dimethoxy-17-methyl-6-oxo-7,8-didehydromorphinan-1-yl)-3,7-dimethoxy-17-methyl-7,8-didehydromorphinan-6-one (CAS 596-58-7), with molecular formula C38H44N2O8 and molecular weight 656.31 g/mol. IUPAC: 3-hydroxy-6-(3-hydroxy-4,12-dimethoxy-17-methyl-13-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraen-6-yl)-4,12-dimethoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraen-13-one.
Chemical Property Profile of 4-Hydroxy-1-(4-hydroxy-3,7-dimethoxy-17-methyl-6-oxo-7,8-didehydromorphinan-1-yl)-3,7-dimethoxy-17-methyl-7,8-didehydromorphinan-6-one
Property Insights of 4-Hydroxy-1-(4-hydroxy-3,7-dimethoxy-17-methyl-6-oxo-7,8-didehydromorphinan-1-yl)-3,7-dimethoxy-17-methyl-7,8-didehydromorphinan-6-one
The XLogP value of 4.0 indicates that 4-Hydroxy-1-(4-hydroxy-3,7-dimethoxy-17-methyl-6-oxo-7,8-didehydromorphinan-1-yl)-3,7-dimethoxy-17-methyl-7,8-didehydromorphinan-6-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Hydroxy-1-(4-hydroxy-3,7-dimethoxy-17-methyl-6-oxo-7,8-didehydromorphinan-1-yl)-3,7-dimethoxy-17-methyl-7,8-didehydromorphinan-6-one. Following Lipinski's Rule of Five, 4-Hydroxy-1-(4-hydroxy-3,7-dimethoxy-17-methyl-6-oxo-7,8-didehydromorphinan-1-yl)-3,7-dimethoxy-17-methyl-7,8-didehydromorphinan-6-one has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Hydroxy-1-(4-hydroxy-3,7-dimethoxy-17-methyl-6-oxo-7,8-didehydromorphinan-1-yl)-3,7-dimethoxy-17-methyl-7,8-didehydromorphinan-6-one?
The CAS number of 4-Hydroxy-1-(4-hydroxy-3,7-dimethoxy-17-methyl-6-oxo-7,8-didehydromorphinan-1-yl)-3,7-dimethoxy-17-methyl-7,8-didehydromorphinan-6-one is 596-58-7.
What is the molecular formula of 4-Hydroxy-1-(4-hydroxy-3,7-dimethoxy-17-methyl-6-oxo-7,8-didehydromorphinan-1-yl)-3,7-dimethoxy-17-methyl-7,8-didehydromorphinan-6-one?
The molecular formula of 4-Hydroxy-1-(4-hydroxy-3,7-dimethoxy-17-methyl-6-oxo-7,8-didehydromorphinan-1-yl)-3,7-dimethoxy-17-methyl-7,8-didehydromorphinan-6-one is C38H44N2O8.
What is the molecular weight of 4-Hydroxy-1-(4-hydroxy-3,7-dimethoxy-17-methyl-6-oxo-7,8-didehydromorphinan-1-yl)-3,7-dimethoxy-17-methyl-7,8-didehydromorphinan-6-one?
The molecular weight of 4-Hydroxy-1-(4-hydroxy-3,7-dimethoxy-17-methyl-6-oxo-7,8-didehydromorphinan-1-yl)-3,7-dimethoxy-17-methyl-7,8-didehydromorphinan-6-one is 656.31 g/mol.
Where can I buy 4-Hydroxy-1-(4-hydroxy-3,7-dimethoxy-17-methyl-6-oxo-7,8-didehydromorphinan-1-yl)-3,7-dimethoxy-17-methyl-7,8-didehydromorphinan-6-one?
You can request a quote for 4-Hydroxy-1-(4-hydroxy-3,7-dimethoxy-17-methyl-6-oxo-7,8-didehydromorphinan-1-yl)-3,7-dimethoxy-17-methyl-7,8-didehydromorphinan-6-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hydroxy-1-(4-hydroxy-3,7-dimethoxy-17-methyl-6-oxo-7,8-didehydromorphinan-1-yl)-3,7-dimethoxy-17-methyl-7,8-didehydromorphinan-6-one?
Yes, KEHONG BIO provides custom synthesis services for 4-Hydroxy-1-(4-hydroxy-3,7-dimethoxy-17-methyl-6-oxo-7,8-didehydromorphinan-1-yl)-3,7-dimethoxy-17-methyl-7,8-didehydromorphinan-6-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.