3-Methoxynaltrexone
TL;DR: 3-Methoxynaltrexone (CAS 16617-07-5) is a chemical compound with molecular formula C21H25NO4 and molecular weight 355.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a-hydroxy-9-methoxy-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
Also Known As: 3-O-Methylnaltrexone, 3-Methoxynaltrexone, Methylnaltrexone, Naltrexone-3-methyl ether, N-Cyclopropylmethylnoroxycodone
| Molecular Formula | C21H25NO4 |
|---|---|
| Molecular Weight | 355.18 g/mol |
| LogP | 1.8284 |
| Topological Polar Surface Area | 59.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 355.17834 |
| Heavy Atoms | 26 |
| Complexity | 818.47424 |
Chemical Identifiers
| CAS Number | 16617-07-5 |
|---|---|
| SMILES | COC1=C2C3=C(C[C@@H]4[C@]5([C@]3(CCN4CC6CC6)[C@@H](O2)C(=O)CC5)O)C=C1 |
Product Overview
3-Methoxynaltrexone (CAS 16617-07-5), with molecular formula C21H25NO4 and molecular weight 355.18 g/mol. IUPAC: (4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a-hydroxy-9-methoxy-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one.
Chemical Property Profile of 3-Methoxynaltrexone
Property Insights of 3-Methoxynaltrexone
The XLogP value of 1.8284 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methoxynaltrexone. With a topological polar surface area (TPSA) of 59.0 Ų, 3-Methoxynaltrexone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methoxynaltrexone 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 3-Methoxynaltrexone?
The CAS number of 3-Methoxynaltrexone is 16617-07-5.
What is the molecular formula of 3-Methoxynaltrexone?
The molecular formula of 3-Methoxynaltrexone is C21H25NO4.
What is the molecular weight of 3-Methoxynaltrexone?
The molecular weight of 3-Methoxynaltrexone is 355.18 g/mol.
Where can I buy 3-Methoxynaltrexone?
You can request a quote for 3-Methoxynaltrexone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methoxynaltrexone?
Yes, KEHONG BIO provides custom synthesis services for 3-Methoxynaltrexone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.