7-Benzylidenenaltrexone
TL;DR: 7-Benzylidenenaltrexone (CAS 129468-50-4) is a chemical compound with molecular formula C27H27NO4 and molecular weight 429.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R,4aS,7aR,12bS)-6-benzylidene-3-(cyclopropylmethyl)-4a,9-dihydroxy-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
Also Known As: 7-benzylidenenaltrexone, 7-Benzylidenenaltrexonemaleate, 7-Benzylidenenaltrexone maleate, SID:96099969, Morphinan-6-one, 17-(cyclopropylmethyl)-4,5-epoxy-3,14-dihydroxy-7-(phenylmethylene)-, (5alpha)-
| Molecular Formula | C27H27NO4 |
|---|---|
| Molecular Weight | 429.19 g/mol |
| LogP | 3.2189 |
| Topological Polar Surface Area | 70.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 429.194 |
| Heavy Atoms | 32 |
| Complexity | 1169.6788 |
Chemical Identifiers
| CAS Number | 129468-50-4 |
|---|---|
| SMILES | C1CC1CN2CC[C@]34[C@@H]5C(=O)C(=CC6=CC=CC=C6)C[C@]3([C@H]2CC7=C4C(=C(C=C7)O)O5)O |
Product Overview
7-Benzylidenenaltrexone (CAS 129468-50-4), with molecular formula C27H27NO4 and molecular weight 429.19 g/mol. IUPAC: (4R,4aS,7aR,12bS)-6-benzylidene-3-(cyclopropylmethyl)-4a,9-dihydroxy-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one.
Chemical Property Profile of 7-Benzylidenenaltrexone
Property Insights of 7-Benzylidenenaltrexone
The XLogP value of 3.2189 indicates that 7-Benzylidenenaltrexone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Benzylidenenaltrexone. Following Lipinski's Rule of Five, 7-Benzylidenenaltrexone has 2 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 7-Benzylidenenaltrexone?
The CAS number of 7-Benzylidenenaltrexone is 129468-50-4.
What is the molecular formula of 7-Benzylidenenaltrexone?
The molecular formula of 7-Benzylidenenaltrexone is C27H27NO4.
What is the molecular weight of 7-Benzylidenenaltrexone?
The molecular weight of 7-Benzylidenenaltrexone is 429.19 g/mol.
Where can I buy 7-Benzylidenenaltrexone?
You can request a quote for 7-Benzylidenenaltrexone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Benzylidenenaltrexone?
Yes, KEHONG BIO provides custom synthesis services for 7-Benzylidenenaltrexone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.