6-Acetylthiomorphine
TL;DR: 6-Acetylthiomorphine (CAS 117152-64-4) is a chemical compound with molecular formula C19H21NO3S and molecular weight 343.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[(4R,4aR,7R,7aR,12bS)-9-hydroxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] ethanethioate
Also Known As: 6-Acetylthiomorphine, (-)-6beta-Acetylthionormorphine, KT 88, (-)-6beta-Acetylthiomorphine, Morphinan-3-ol, 6-(acetylthio)-7,8-didehydro-4,5-epoxy-17-methyl-, (5alpha,6beta)-
| Molecular Formula | C19H21NO3S |
|---|---|
| Molecular Weight | 343.12 g/mol |
| LogP | 2.4855 |
| Topological Polar Surface Area | 49.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 343.1242 |
| Heavy Atoms | 24 |
| Complexity | 776.12054 |
Chemical Identifiers
| CAS Number | 117152-64-4 |
|---|---|
| SMILES | CC(=O)S[C@@H]1C=C[C@H]2[C@H]3CC4=C5[C@]2([C@H]1OC5=C(C=C4)O)CCN3C |
Product Overview
6-Acetylthiomorphine (CAS 117152-64-4), with molecular formula C19H21NO3S and molecular weight 343.12 g/mol. IUPAC: S-[(4R,4aR,7R,7aR,12bS)-9-hydroxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] ethanethioate.
Chemical Property Profile of 6-Acetylthiomorphine
Property Insights of 6-Acetylthiomorphine
The XLogP value of 2.4855 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Acetylthiomorphine. With a topological polar surface area (TPSA) of 49.77 Ų, 6-Acetylthiomorphine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Acetylthiomorphine 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-Acetylthiomorphine?
The CAS number of 6-Acetylthiomorphine is 117152-64-4.
What is the molecular formula of 6-Acetylthiomorphine?
The molecular formula of 6-Acetylthiomorphine is C19H21NO3S.
What is the molecular weight of 6-Acetylthiomorphine?
The molecular weight of 6-Acetylthiomorphine is 343.12 g/mol.
Where can I buy 6-Acetylthiomorphine?
You can request a quote for 6-Acetylthiomorphine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Acetylthiomorphine?
Yes, KEHONG BIO provides custom synthesis services for 6-Acetylthiomorphine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.