Nalodeine
TL;DR: Nalodeine (CAS 56195-50-7) is a chemical compound with molecular formula C20H23NO3 and molecular weight 325.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R,4aR,7S,7aR,12bS)-9-methoxy-3-prop-2-enyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol
Also Known As: Nalodeine, N-allylnorcodeine, EINECS 260-050-6, (5alpha,6alpha)-17-Allyl-7,8-didehydro-4,5-epoxy-3-methoxymorphinan-6-ol, 17-allyl-4,5
| Molecular Formula | C20H23NO3 |
|---|---|
| Molecular Weight | 325.17 g/mol |
| LogP | 2.0573 |
| Topological Polar Surface Area | 41.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 325.1678 |
| Heavy Atoms | 24 |
| Complexity | 742.64465 |
Chemical Identifiers
| CAS Number | 56195-50-7 |
|---|---|
| SMILES | COC1=C2C3=C(C[C@@H]4[C@H]5[C@]3(CCN4CC=C)[C@@H](O2)[C@H](C=C5)O)C=C1 |
Product Overview
Nalodeine (CAS 56195-50-7), with molecular formula C20H23NO3 and molecular weight 325.17 g/mol. IUPAC: (4R,4aR,7S,7aR,12bS)-9-methoxy-3-prop-2-enyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol.
Chemical Property Profile of Nalodeine
Property Insights of Nalodeine
The XLogP value of 2.0573 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nalodeine. With a topological polar surface area (TPSA) of 41.93 Ų, Nalodeine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Nalodeine has 1 hydrogen bond donor(s) and 4 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 Nalodeine?
The CAS number of Nalodeine is 56195-50-7.
What is the molecular formula of Nalodeine?
The molecular formula of Nalodeine is C20H23NO3.
What is the molecular weight of Nalodeine?
The molecular weight of Nalodeine is 325.17 g/mol.
Where can I buy Nalodeine?
You can request a quote for Nalodeine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nalodeine?
Yes, KEHONG BIO provides custom synthesis services for Nalodeine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.