二氢替维酮
TL;DR: 二氢替维酮 (CAS 16196-82-0) is a chemical compound with molecular formula C23H29NO4 and molecular weight 383.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
二氢替维酮
1-[(1S,2S,6R,14R,15R,16S)-11,15-dimethoxy-5-methyl-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-16-yl]ethanone
Also Known As: Dihydrothevinone, Hydrothevinone, NCI60_022093, 7a-Acetyl-6,14-endo-ethanotetrahydrothebaine, A-Acetyl-6,14-endo-ethanotetrahydrothebaine
| Molecular Formula | C23H29NO4 |
|---|---|
| Molecular Weight | 383.21 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 48.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 383.20966 |
| Heavy Atoms | 28 |
| Complexity | 713.0 |
Chemical Identifiers
| CAS Number | 16196-82-0 |
|---|---|
| SMILES | CC(=O)[C@H]1C[C@@]23CC[C@@]1([C@H]4[C@@]25CCN([C@@H]3CC6=C5C(=C(C=C6)OC)O4)C)OC |
| InChIKey | KRWAWNXEYPCCLG-LLGZQOTFSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
二氢替维酮 (CAS 16196-82-0), with molecular formula C23H29NO4 and molecular weight 383.21 g/mol. IUPAC: 1-[(1S,2S,6R,14R,15R,16S)-11,15-dimethoxy-5-methyl-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-16-yl]ethanone.
Chemical Property Profile of 二氢替维酮
Property Insights of 二氢替维酮
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 二氢替维酮. With a topological polar surface area (TPSA) of 48.0 Ų, 二氢替维酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 二氢替维酮 has 0 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 二氢替维酮?
The CAS number of 二氢替维酮 is 16196-82-0.
What is the molecular formula of 二氢替维酮?
The molecular formula of 二氢替维酮 is C23H29NO4.
What is the molecular weight of 二氢替维酮?
The molecular weight of 二氢替维酮 is 383.21 g/mol.
Where can I buy 二氢替维酮?
You can request a quote for 二氢替维酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 二氢替维酮?
Yes, KEHONG BIO provides custom synthesis services for 二氢替维酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.