b-Dihydrothevinone
TL;DR: b-Dihydrothevinone (CAS 16196-83-1) 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.
1-[(1S,2S,6R,14R,15R,16R)-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: b-Dihydrothevinone, beta-Dihydrothevinone, NCI60_022093, (14S)-3,6-Dimethoxy-7beta-acetyl-17-methyl-4,5alpha-epoxy-6alpha,14-ethanomorphinan, (5R,6R,7R,14S)-7-Acetyl-4,5-epoxy-18,19-dihydro-3,6-dimethoxy-17-methyl-6,14-ethenomorphinan
| Molecular Formula | C23H29NO4 |
|---|---|
| Molecular Weight | 383.21 g/mol |
| LogP | 2.7285 |
| 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 | 898.8337 |
Chemical Identifiers
| CAS Number | 16196-83-1 |
|---|---|
| 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 |
Product Overview
b-Dihydrothevinone (CAS 16196-83-1), with molecular formula C23H29NO4 and molecular weight 383.21 g/mol. IUPAC: 1-[(1S,2S,6R,14R,15R,16R)-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 b-Dihydrothevinone
Property Insights of b-Dihydrothevinone
The XLogP value of 2.7285 suggests moderate lipophilicity, balancing water solubility and membrane permeability for b-Dihydrothevinone. With a topological polar surface area (TPSA) of 48.0 Ų, b-Dihydrothevinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, b-Dihydrothevinone 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 b-Dihydrothevinone?
The CAS number of b-Dihydrothevinone is 16196-83-1.
What is the molecular formula of b-Dihydrothevinone?
The molecular formula of b-Dihydrothevinone is C23H29NO4.
What is the molecular weight of b-Dihydrothevinone?
The molecular weight of b-Dihydrothevinone is 383.21 g/mol.
Where can I buy b-Dihydrothevinone?
You can request a quote for b-Dihydrothevinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for b-Dihydrothevinone?
Yes, KEHONG BIO provides custom synthesis services for b-Dihydrothevinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.