17-Methyl-7,8-didehydro-4,5-epoxymorphinan-3,6-diol--water (1/1)
TL;DR: 17-Methyl-7,8-didehydro-4,5-epoxymorphinan-3,6-diol--water (1/1) (CAS 6009-81-0) is a chemical compound with molecular formula C17H21NO4 and molecular weight 303.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol;hydrate
Also Known As: Morphine monohydrate, Morphine 1-hydrate, 17-methyl-7,8-didehydro-4,5-epoxymorphinan-3,6-diol hydrate(1:1), Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5-alpha,6-alpha)-, monohydrate, 17-Methyl-7,8-didehydro-4,5-epoxymorphinan-3,6-diol--water (1/1)
| Molecular Formula | C17H21NO4 |
|---|---|
| Molecular Weight | 303.15 g/mol |
| LogP | 0.37 |
| Topological Polar Surface Area | 53.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 303.14706 |
| Heavy Atoms | 22 |
| Complexity | 494.0 |
Chemical Identifiers
| CAS Number | 6009-81-0 |
|---|---|
| SMILES | CN1CCC23C4C1CC5=C2C(=C(C=C5)O)OC3C(C=C4)O.O |
| InChIKey | IYXRQFVHZFEWSY-UHFFFAOYSA-N |
Product Overview
17-Methyl-7,8-didehydro-4,5-epoxymorphinan-3,6-diol--water (1/1) (CAS 6009-81-0), with molecular formula C17H21NO4 and molecular weight 303.15 g/mol. IUPAC: 3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol;hydrate.
Chemical Property Profile of 17-Methyl-7,8-didehydro-4,5-epoxymorphinan-3,6-diol--water (1/1)
Property Insights of 17-Methyl-7,8-didehydro-4,5-epoxymorphinan-3,6-diol--water (1/1)
The XLogP value of 0.37 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 17-Methyl-7,8-didehydro-4,5-epoxymorphinan-3,6-diol--water (1/1). With a topological polar surface area (TPSA) of 53.9 Ų, 17-Methyl-7,8-didehydro-4,5-epoxymorphinan-3,6-diol--water (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 17-Methyl-7,8-didehydro-4,5-epoxymorphinan-3,6-diol--water (1/1) has 3 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 17-Methyl-7,8-didehydro-4,5-epoxymorphinan-3,6-diol--water (1/1)?
The CAS number of 17-Methyl-7,8-didehydro-4,5-epoxymorphinan-3,6-diol--water (1/1) is 6009-81-0.
What is the molecular formula of 17-Methyl-7,8-didehydro-4,5-epoxymorphinan-3,6-diol--water (1/1)?
The molecular formula of 17-Methyl-7,8-didehydro-4,5-epoxymorphinan-3,6-diol--water (1/1) is C17H21NO4.
What is the molecular weight of 17-Methyl-7,8-didehydro-4,5-epoxymorphinan-3,6-diol--water (1/1)?
The molecular weight of 17-Methyl-7,8-didehydro-4,5-epoxymorphinan-3,6-diol--water (1/1) is 303.15 g/mol.
Where can I buy 17-Methyl-7,8-didehydro-4,5-epoxymorphinan-3,6-diol--water (1/1)?
You can request a quote for 17-Methyl-7,8-didehydro-4,5-epoxymorphinan-3,6-diol--water (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 17-Methyl-7,8-didehydro-4,5-epoxymorphinan-3,6-diol--water (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 17-Methyl-7,8-didehydro-4,5-epoxymorphinan-3,6-diol--water (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.