Desocodeine
TL;DR: Desocodeine (CAS 3990-01-0) is a chemical compound with molecular formula C18H23NO2 and molecular weight 285.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4S,4aR,7aS,12bS)-9-methoxy-3-methyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline
Also Known As: Desocodeine, Dihydrodeoxycodeine, Deoxydihydrocodeine D, 6-Deoxydihydrocodeine, (5
| Molecular Formula | C18H23NO2 |
|---|---|
| Molecular Weight | 285.17 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 21.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 285.17288 |
| Heavy Atoms | 21 |
| Complexity | 441.0 |
Chemical Identifiers
| CAS Number | 3990-01-0 |
|---|---|
| SMILES | CN1CC[C@]23[C@@H]4[C@@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3CCC4 |
| InChIKey | ZJWPQUSUXBOTPF-BWQRHGBYSA-N |
Product Overview
Desocodeine (CAS 3990-01-0), with molecular formula C18H23NO2 and molecular weight 285.17 g/mol. IUPAC: (4S,4aR,7aS,12bS)-9-methoxy-3-methyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline.
Chemical Property Profile of Desocodeine
Property Insights of Desocodeine
The XLogP value of 3.1 indicates that Desocodeine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.7 Ų, Desocodeine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Desocodeine has 0 hydrogen bond donor(s) and 3 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 Desocodeine?
The CAS number of Desocodeine is 3990-01-0.
What is the molecular formula of Desocodeine?
The molecular formula of Desocodeine is C18H23NO2.
What is the molecular weight of Desocodeine?
The molecular weight of Desocodeine is 285.17 g/mol.
Where can I buy Desocodeine?
You can request a quote for Desocodeine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Desocodeine?
Yes, KEHONG BIO provides custom synthesis services for Desocodeine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.