(5alpha,6alpha)-4,5-Epoxy-17-(2-phenylethyl)morphinan-3,6,14-triol
TL;DR: (5alpha,6alpha)-4,5-Epoxy-17-(2-phenylethyl)morphinan-3,6,14-triol (CAS 4778-96-5) is a chemical compound with molecular formula C24H27NO4 and molecular weight 393.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R,4aS,7S,7aR,12bS)-3-(2-phenylethyl)-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,7,9-triol
Also Known As: Normorphine, 7,8-dihydro-14-hydroxy-N-phenethyl-, 7,8-Dihydro-14-hydroxy-N-phenethylnormorphine, N-Phenethyl-14-hydroxydihydronormorphine, 4,5-alpha-Epoxy-17-phenethylmorphinan-3,6-alpha,14-triol, Morphinan-3,6-alpha,14-triol, 4,5-alpha-epoxy-17-phenethyl-
| Molecular Formula | C24H27NO4 |
|---|---|
| Molecular Weight | 393.19 g/mol |
| LogP | 2.1499 |
| Topological Polar Surface Area | 73.16 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 393.194 |
| Heavy Atoms | 29 |
| Complexity | 962.8531 |
Chemical Identifiers
| CAS Number | 4778-96-5 |
|---|---|
| SMILES | C1C[C@]2([C@H]3CC4=C5[C@@]2(CCN3CCC6=CC=CC=C6)[C@H]([C@H]1O)OC5=C(C=C4)O)O |
Product Overview
(5alpha,6alpha)-4,5-Epoxy-17-(2-phenylethyl)morphinan-3,6,14-triol (CAS 4778-96-5), with molecular formula C24H27NO4 and molecular weight 393.19 g/mol. IUPAC: (4R,4aS,7S,7aR,12bS)-3-(2-phenylethyl)-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,7,9-triol.
Chemical Property Profile of (5alpha,6alpha)-4,5-Epoxy-17-(2-phenylethyl)morphinan-3,6,14-triol
Property Insights of (5alpha,6alpha)-4,5-Epoxy-17-(2-phenylethyl)morphinan-3,6,14-triol
The XLogP value of 2.1499 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5alpha,6alpha)-4,5-Epoxy-17-(2-phenylethyl)morphinan-3,6,14-triol. The TPSA of 73.16 Ų falls within the moderate polarity range, balancing permeability and solubility for (5alpha,6alpha)-4,5-Epoxy-17-(2-phenylethyl)morphinan-3,6,14-triol. Following Lipinski's Rule of Five, (5alpha,6alpha)-4,5-Epoxy-17-(2-phenylethyl)morphinan-3,6,14-triol 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 (5alpha,6alpha)-4,5-Epoxy-17-(2-phenylethyl)morphinan-3,6,14-triol?
The CAS number of (5alpha,6alpha)-4,5-Epoxy-17-(2-phenylethyl)morphinan-3,6,14-triol is 4778-96-5.
What is the molecular formula of (5alpha,6alpha)-4,5-Epoxy-17-(2-phenylethyl)morphinan-3,6,14-triol?
The molecular formula of (5alpha,6alpha)-4,5-Epoxy-17-(2-phenylethyl)morphinan-3,6,14-triol is C24H27NO4.
What is the molecular weight of (5alpha,6alpha)-4,5-Epoxy-17-(2-phenylethyl)morphinan-3,6,14-triol?
The molecular weight of (5alpha,6alpha)-4,5-Epoxy-17-(2-phenylethyl)morphinan-3,6,14-triol is 393.19 g/mol.
Where can I buy (5alpha,6alpha)-4,5-Epoxy-17-(2-phenylethyl)morphinan-3,6,14-triol?
You can request a quote for (5alpha,6alpha)-4,5-Epoxy-17-(2-phenylethyl)morphinan-3,6,14-triol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5alpha,6alpha)-4,5-Epoxy-17-(2-phenylethyl)morphinan-3,6,14-triol?
Yes, KEHONG BIO provides custom synthesis services for (5alpha,6alpha)-4,5-Epoxy-17-(2-phenylethyl)morphinan-3,6,14-triol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.