Β-富纳曲胺
TL;DR: Β-富纳曲胺 (CAS 72782-05-9) is a chemical compound with molecular formula C25H30N2O6 and molecular weight 454.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Β-富纳曲胺
methyl (E)-4-[[(4R,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
Also Known As: beta-Funaltrexamine, beta-Fna, I2-Funaltrexamine, Beta Funaltrexamine, Beta-Funeltrexamine
| Molecular Formula | C25H30N2O6 |
|---|---|
| Molecular Weight | 454.21 g/mol |
| LogP | 1.1703 |
| Topological Polar Surface Area | 108.33 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 454.2104 |
| Heavy Atoms | 33 |
| Complexity | 1051.5779 |
Chemical Identifiers
| CAS Number | 72782-05-9 |
|---|---|
| SMILES | COC(=O)/C=C/C(=O)N[C@@H]1CC[C@]2([C@H]3CC4=C5[C@]2([C@H]1OC5=C(C=C4)O)CCN3CC6CC6)O |
Product Overview
Β-富纳曲胺 (CAS 72782-05-9), with molecular formula C25H30N2O6 and molecular weight 454.21 g/mol. IUPAC: methyl (E)-4-[[(4R,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.
Chemical Property Profile of Β-富纳曲胺
Property Insights of Β-富纳曲胺
The XLogP value of 1.1703 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Β-富纳曲胺. The TPSA of 108.33 Ų falls within the moderate polarity range, balancing permeability and solubility for Β-富纳曲胺. Following Lipinski's Rule of Five, Β-富纳曲胺 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 Β-富纳曲胺?
The CAS number of Β-富纳曲胺 is 72782-05-9.
What is the molecular formula of Β-富纳曲胺?
The molecular formula of Β-富纳曲胺 is C25H30N2O6.
What is the molecular weight of Β-富纳曲胺?
The molecular weight of Β-富纳曲胺 is 454.21 g/mol.
Where can I buy Β-富纳曲胺?
You can request a quote for Β-富纳曲胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Β-富纳曲胺?
Yes, KEHONG BIO provides custom synthesis services for Β-富纳曲胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.