6-(2-Phenylethyl)oximino naltrexone
TL;DR: 6-(2-Phenylethyl)oximino naltrexone (CAS 127227-10-5) is a chemical compound with molecular formula C28H32N2O4 and molecular weight 460.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R,4aS,7E,7aR,12bS)-3-(cyclopropylmethyl)-7-(2-phenylethoxyimino)-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,9-diol
Also Known As: Npc 831, 6-(2-Phenylethyl)oximino naltrexone, (4R,4aS,7E,7aR,12bS)-3-(cyclopropylmethyl)-7-(2-phenylethoxyimino)-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,9-diol, Morphinan-6-one, 17-(cyclopropylmethyl)-4,5-epoxy-3,14-dihydroxy-, O-(2-phenylethyl)oxime, (5alpha)-, (1S,5R,13R,17S)-4-(cyclopropylmethyl)-14-[(2-phenylethoxy)imino]-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7,9,11(18)-triene-10,17-diol
| Molecular Formula | C28H32N2O4 |
|---|---|
| Molecular Weight | 460.24 g/mol |
| LogP | 3.5716 |
| Topological Polar Surface Area | 74.52 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 460.2362 |
| Heavy Atoms | 34 |
| Complexity | 1146.5952 |
Chemical Identifiers
| CAS Number | 127227-10-5 |
|---|---|
| SMILES | C1CC1CN2CC[C@]34[C@@H]5/C(=N/OCCC6=CC=CC=C6)/CC[C@]3([C@H]2CC7=C4C(=C(C=C7)O)O5)O |
Product Overview
6-(2-Phenylethyl)oximino naltrexone (CAS 127227-10-5), with molecular formula C28H32N2O4 and molecular weight 460.24 g/mol. IUPAC: (4R,4aS,7E,7aR,12bS)-3-(cyclopropylmethyl)-7-(2-phenylethoxyimino)-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,9-diol.
Chemical Property Profile of 6-(2-Phenylethyl)oximino naltrexone
Property Insights of 6-(2-Phenylethyl)oximino naltrexone
The XLogP value of 3.5716 indicates that 6-(2-Phenylethyl)oximino naltrexone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(2-Phenylethyl)oximino naltrexone. Following Lipinski's Rule of Five, 6-(2-Phenylethyl)oximino naltrexone has 2 hydrogen bond donor(s) and 6 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 6-(2-Phenylethyl)oximino naltrexone?
The CAS number of 6-(2-Phenylethyl)oximino naltrexone is 127227-10-5.
What is the molecular formula of 6-(2-Phenylethyl)oximino naltrexone?
The molecular formula of 6-(2-Phenylethyl)oximino naltrexone is C28H32N2O4.
What is the molecular weight of 6-(2-Phenylethyl)oximino naltrexone?
The molecular weight of 6-(2-Phenylethyl)oximino naltrexone is 460.24 g/mol.
Where can I buy 6-(2-Phenylethyl)oximino naltrexone?
You can request a quote for 6-(2-Phenylethyl)oximino naltrexone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(2-Phenylethyl)oximino naltrexone?
Yes, KEHONG BIO provides custom synthesis services for 6-(2-Phenylethyl)oximino naltrexone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.