6-Hydroxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-3-yl propanoate
TL;DR: 6-Hydroxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-3-yl propanoate (CAS 77198-99-3) is a chemical compound with molecular formula C20H23NO4 and molecular weight 341.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(4aR,7S,7aR,12bS)-7-hydroxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl] propanoate
Also Known As: 3-propionyl-morphine, 3-O-Propanoylmorphine, KST-1A8166, 6-Hydroxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-3-yl propanoate, (5
| Molecular Formula | C20H23NO4 |
|---|---|
| Molecular Weight | 341.16 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 59.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 341.16272 |
| Heavy Atoms | 25 |
| Complexity | 607.0 |
Chemical Identifiers
| CAS Number | 77198-99-3 |
|---|---|
| SMILES | CCC(=O)OC1=C2C3=C(CC4[C@H]5[C@]3(CCN4C)[C@@H](O2)[C@H](C=C5)O)C=C1 |
| InChIKey | LSYABJYKSBROSB-ZMWMKAGOSA-N |
Product Overview
6-Hydroxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-3-yl propanoate (CAS 77198-99-3), with molecular formula C20H23NO4 and molecular weight 341.16 g/mol. IUPAC: [(4aR,7S,7aR,12bS)-7-hydroxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl] propanoate.
Chemical Property Profile of 6-Hydroxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-3-yl propanoate
Property Insights of 6-Hydroxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-3-yl propanoate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Hydroxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-3-yl propanoate. With a topological polar surface area (TPSA) of 59.0 Ų, 6-Hydroxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-3-yl propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Hydroxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-3-yl propanoate 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 6-Hydroxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-3-yl propanoate?
The CAS number of 6-Hydroxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-3-yl propanoate is 77198-99-3.
What is the molecular formula of 6-Hydroxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-3-yl propanoate?
The molecular formula of 6-Hydroxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-3-yl propanoate is C20H23NO4.
What is the molecular weight of 6-Hydroxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-3-yl propanoate?
The molecular weight of 6-Hydroxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-3-yl propanoate is 341.16 g/mol.
Where can I buy 6-Hydroxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-3-yl propanoate?
You can request a quote for 6-Hydroxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-3-yl propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Hydroxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-3-yl propanoate?
Yes, KEHONG BIO provides custom synthesis services for 6-Hydroxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-3-yl propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.