3-O-Propionylmorphine benzoate
TL;DR: 3-O-Propionylmorphine benzoate (CAS 127786-13-4) is a chemical compound with molecular formula C27H28NO6- and molecular weight 462.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(4R,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 benzoate
Also Known As: 3-O-Propionylmorphine benzoate, 3-O-Propionylmorphine benzoate (salt), Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl-(5alpha,6alpha)-, 3-propanoate, benzoate (salt)
| Molecular Formula | C27H28NO6- |
|---|---|
| Molecular Weight | 462.19 g/mol |
| LogP | 1.858 |
| Topological Polar Surface Area | 99.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 462.19165 |
| Heavy Atoms | 34 |
| Complexity | 1145.3093 |
Chemical Identifiers
| CAS Number | 127786-13-4 |
|---|---|
| SMILES | CCC(=O)OC1=C2C3=C(C[C@@H]4[C@H]5[C@]3(CCN4C)[C@@H](O2)[C@H](C=C5)O)C=C1.C1=CC=C(C=C1)C(=O)[O-] |
Product Overview
3-O-Propionylmorphine benzoate (CAS 127786-13-4), with molecular formula C27H28NO6- and molecular weight 462.19 g/mol. IUPAC: [(4R,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 benzoate.
Chemical Property Profile of 3-O-Propionylmorphine benzoate
Property Insights of 3-O-Propionylmorphine benzoate
The XLogP value of 1.858 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-O-Propionylmorphine benzoate. The TPSA of 99.13 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-O-Propionylmorphine benzoate. Following Lipinski's Rule of Five, 3-O-Propionylmorphine benzoate has 1 hydrogen bond donor(s) and 7 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 3-O-Propionylmorphine benzoate?
The CAS number of 3-O-Propionylmorphine benzoate is 127786-13-4.
What is the molecular formula of 3-O-Propionylmorphine benzoate?
The molecular formula of 3-O-Propionylmorphine benzoate is C27H28NO6-.
What is the molecular weight of 3-O-Propionylmorphine benzoate?
The molecular weight of 3-O-Propionylmorphine benzoate is 462.19 g/mol.
Where can I buy 3-O-Propionylmorphine benzoate?
You can request a quote for 3-O-Propionylmorphine benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-O-Propionylmorphine benzoate?
Yes, KEHONG BIO provides custom synthesis services for 3-O-Propionylmorphine benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.