6beta-Naltrexol
TL;DR: 6beta-Naltrexol (CAS 1279034-32-0) is a chemical compound with molecular formula C20H25NO4 and molecular weight 343.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R,4aS,7R,7aR,12bS)-3-(cyclopropylmethyl)-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,7,9-triol
Also Known As: 6beta-Naltrexol, beta-Naltrexol, 6alpha-Naltrexol, 6-beta-Naltrexol, naltrexol
| Molecular Formula | C20H25NO4 |
|---|---|
| Molecular Weight | 343.18 g/mol |
| LogP | 1.3172 |
| Topological Polar Surface Area | 73.16 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 343.17834 |
| Heavy Atoms | 25 |
| Complexity | 762.3082 |
Chemical Identifiers
| CAS Number | 1279034-32-0 |
|---|---|
| SMILES | C1C[C@]2([C@H]3CC4=C5[C@@]2(CCN3CC6CC6)[C@H]([C@@H]1O)OC5=C(C=C4)O)O |
Product Overview
6beta-Naltrexol (CAS 1279034-32-0), with molecular formula C20H25NO4 and molecular weight 343.18 g/mol. IUPAC: (4R,4aS,7R,7aR,12bS)-3-(cyclopropylmethyl)-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,7,9-triol.
Chemical Property Profile of 6beta-Naltrexol
Property Insights of 6beta-Naltrexol
The XLogP value of 1.3172 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6beta-Naltrexol. The TPSA of 73.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 6beta-Naltrexol. Following Lipinski's Rule of Five, 6beta-Naltrexol has 3 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 6beta-Naltrexol?
The CAS number of 6beta-Naltrexol is 1279034-32-0.
What is the molecular formula of 6beta-Naltrexol?
The molecular formula of 6beta-Naltrexol is C20H25NO4.
What is the molecular weight of 6beta-Naltrexol?
The molecular weight of 6beta-Naltrexol is 343.18 g/mol.
Where can I buy 6beta-Naltrexol?
You can request a quote for 6beta-Naltrexol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6beta-Naltrexol?
Yes, KEHONG BIO provides custom synthesis services for 6beta-Naltrexol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.