Descyclopropylmethyl Nalfurafine
TL;DR: Descyclopropylmethyl Nalfurafine (CAS 163713-06-2) is a chemical compound with molecular formula C24H26N2O5 and molecular weight 422.18417 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-N-[(4R,4aS,7R,7aR,12bS)-4a,9-dihydroxy-2,3,4,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]-3-(furan-3-yl)-N-methylprop-2-enamide
Also Known As: Descyclopropylmethyl Nalfurafine, J2.046.023G, N-Methyl-N-(3,14-dihydroxy-4,5alpha-epoxymorphinan-6beta-yl)furan-3-acrylamide, (E)-N-((4R,4aS,7R,7aR,12bS)-4a,9-dihydroxy-2,3,4,4a,5,6,7,7a-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl)-3-(furan-3-yl)-N-methylacrylamide, (E)-N-[(5alpha,6beta)-4,5-Epoxy-3,14-dihydroxymorphinan-6-yl]-3-(3-furanyl)-N-methyl-2-propenamide
Technical Specifications
| Molecular Formula | C24H26N2O5 |
| Molecular Weight | 422.18417 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 95.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 422.18417 Da |
| Heavy Atoms | 31 |
| Complexity | 775.0 |
| SMILES | CN([C@@H]1CC[C@]2([C@H]3CC4=C5[C@]2([C@H]1OC5=C(C=C4)O)CCN3)O)C(=O)/C=C/C6=COC=C6 |
| InChIKey | GFVPOWWGJUNPAE-SXBHWMBYSA-N |
Chemical Property Profile of Descyclopropylmethyl Nalfurafine
Property Insights of Descyclopropylmethyl Nalfurafine
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Descyclopropylmethyl Nalfurafine. The TPSA of 95.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Descyclopropylmethyl Nalfurafine. Following Lipinski's Rule of Five, Descyclopropylmethyl Nalfurafine has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Descyclopropylmethyl Nalfurafine?
The CAS number of Descyclopropylmethyl Nalfurafine is 163713-06-2.
What is the molecular formula of Descyclopropylmethyl Nalfurafine?
The molecular formula of Descyclopropylmethyl Nalfurafine is C24H26N2O5.
What is the molecular weight of Descyclopropylmethyl Nalfurafine?
The molecular weight of Descyclopropylmethyl Nalfurafine is 422.18417 g/mol.
Where can I buy Descyclopropylmethyl Nalfurafine?
You can request a quote for Descyclopropylmethyl Nalfurafine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Descyclopropylmethyl Nalfurafine?
Yes, CoreyChem provides custom synthesis services for Descyclopropylmethyl Nalfurafine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.