N-Methylnalorphine
TL;DR: N-Methylnalorphine (CAS 4121-75-9) is a chemical compound with molecular formula C20H24NO3+ and molecular weight 326.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R,7S,7aR,12bS)-3-methyl-3-prop-2-enyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-7,9-diol
Also Known As: N-Methylnalorphine, SID:134224461, (4R,7S,7aR,12bS)-3-methyl-3-prop-2-enyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-7,9-diol, Morphinanium, 7,8-didehydro-4,5-epoxy-3,6-dihydroxy-17-methyl-17-(2-propenyl)-, (5alpha,6alpha)-, 3,6-Dihydroxy-17-methyl-17-(prop-2-en-1-yl)-7,8-didehydro-4,5-epoxymorphinan-17-ium
| Molecular Formula | C20H24NO3+ |
|---|---|
| Molecular Weight | 326.18 g/mol |
| LogP | 1.8989 |
| Topological Polar Surface Area | 49.69 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 326.17563 |
| Heavy Atoms | 24 |
| Complexity | 772.39264 |
Chemical Identifiers
| CAS Number | 4121-75-9 |
|---|---|
| SMILES | C[N+]1(CC[C@]23[C@@H]4[C@H](C=CC2[C@H]1CC5=C3C(=C(C=C5)O)O4)O)CC=C |
Product Overview
N-Methylnalorphine (CAS 4121-75-9), with molecular formula C20H24NO3+ and molecular weight 326.18 g/mol. IUPAC: (4R,7S,7aR,12bS)-3-methyl-3-prop-2-enyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-7,9-diol.
Chemical Property Profile of N-Methylnalorphine
Property Insights of N-Methylnalorphine
The XLogP value of 1.8989 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Methylnalorphine. With a topological polar surface area (TPSA) of 49.69 Ų, N-Methylnalorphine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Methylnalorphine has 2 hydrogen bond donor(s) and 3 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 N-Methylnalorphine?
The CAS number of N-Methylnalorphine is 4121-75-9.
What is the molecular formula of N-Methylnalorphine?
The molecular formula of N-Methylnalorphine is C20H24NO3+.
What is the molecular weight of N-Methylnalorphine?
The molecular weight of N-Methylnalorphine is 326.18 g/mol.
Where can I buy N-Methylnalorphine?
You can request a quote for N-Methylnalorphine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Methylnalorphine?
Yes, KEHONG BIO provides custom synthesis services for N-Methylnalorphine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.