beta-Funaltrexamine hydrochloride
TL;DR: beta-Funaltrexamine hydrochloride (CAS 72786-10-8) is a chemical compound with molecular formula C25H31ClN2O6 and molecular weight 490.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (E)-4-[[(4aS,7R,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]amino]-4-oxobut-2-enoate;hydrochloride
Also Known As: beta-Funaltrexamine hydrochloride, beta-funaltrexamine monohydrochloride, (E)-isomer, 2-Butanoic acid, 4-(((5alpha,6beta)-17-(cyclopropylmethyl)-4,5-epoxy-3,14-dihydroxymorphinan-6-yl)amino)-4-oxo-, methyl ester, monohydrochloride, (E)-, Methyl (E)-4-[[(4aS,7R,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]amino]-4-oxobut-2-enoate;hydrochloride
| Molecular Formula | C25H31ClN2O6 |
|---|---|
| Molecular Weight | 490.19 g/mol |
| LogP | 1.5921 |
| Topological Polar Surface Area | 108.33 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 490.18707 |
| Heavy Atoms | 34 |
| Complexity | 1058.0867 |
Chemical Identifiers
| CAS Number | 72786-10-8 |
|---|---|
| SMILES | COC(=O)/C=C/C(=O)N[C@@H]1CC[C@]2(C3CC4=C5[C@]2([C@H]1OC5=C(C=C4)O)CCN3CC6CC6)O.Cl |
Product Overview
beta-Funaltrexamine hydrochloride (CAS 72786-10-8), with molecular formula C25H31ClN2O6 and molecular weight 490.19 g/mol. IUPAC: methyl (E)-4-[[(4aS,7R,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]amino]-4-oxobut-2-enoate;hydrochloride.
Chemical Property Profile of beta-Funaltrexamine hydrochloride
Property Insights of beta-Funaltrexamine hydrochloride
The XLogP value of 1.5921 suggests moderate lipophilicity, balancing water solubility and membrane permeability for beta-Funaltrexamine hydrochloride. The TPSA of 108.33 Ų falls within the moderate polarity range, balancing permeability and solubility for beta-Funaltrexamine hydrochloride. Following Lipinski's Rule of Five, beta-Funaltrexamine hydrochloride has 3 hydrogen bond donor(s) and 7 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 beta-Funaltrexamine hydrochloride?
The CAS number of beta-Funaltrexamine hydrochloride is 72786-10-8.
What is the molecular formula of beta-Funaltrexamine hydrochloride?
The molecular formula of beta-Funaltrexamine hydrochloride is C25H31ClN2O6.
What is the molecular weight of beta-Funaltrexamine hydrochloride?
The molecular weight of beta-Funaltrexamine hydrochloride is 490.19 g/mol.
Where can I buy beta-Funaltrexamine hydrochloride?
You can request a quote for beta-Funaltrexamine hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-Funaltrexamine hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for beta-Funaltrexamine hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.