N-Aminodihydrothebainonium methyl ether chloride
TL;DR: N-Aminodihydrothebainonium methyl ether chloride (CAS 131656-19-4) is a chemical compound with molecular formula C19H27ClN2O3 and molecular weight 366.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,9R,10R)-17-amino-3,4-dimethoxy-17-methyl-17-azoniatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one chloride
Also Known As: N-Aminodihydrothebainonium methyl ether chloride, 17-Amino-3,4-dimethoxy-17-methyl-6-oxomorphinan-17-ium chloride
| Molecular Formula | C19H27ClN2O3 |
|---|---|
| Molecular Weight | 366.17 g/mol |
| LogP | -1.0365 |
| Topological Polar Surface Area | 61.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 366.17102 |
| Heavy Atoms | 25 |
| Complexity | 706.1548 |
Chemical Identifiers
| CAS Number | 131656-19-4 |
|---|---|
| SMILES | C[N+]1(CC[C@]23CC(=O)CC[C@H]2[C@H]1CC4=C3C(=C(C=C4)OC)OC)N.[Cl-] |
Product Overview
N-Aminodihydrothebainonium methyl ether chloride (CAS 131656-19-4), with molecular formula C19H27ClN2O3 and molecular weight 366.17 g/mol. IUPAC: (1S,9R,10R)-17-amino-3,4-dimethoxy-17-methyl-17-azoniatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one chloride.
Chemical Property Profile of N-Aminodihydrothebainonium methyl ether chloride
Property Insights of N-Aminodihydrothebainonium methyl ether chloride
The XLogP value of -1.0365 indicates that N-Aminodihydrothebainonium methyl ether chloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 61.55 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Aminodihydrothebainonium methyl ether chloride. Following Lipinski's Rule of Five, N-Aminodihydrothebainonium methyl ether chloride has 1 hydrogen bond donor(s) and 4 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-Aminodihydrothebainonium methyl ether chloride?
The CAS number of N-Aminodihydrothebainonium methyl ether chloride is 131656-19-4.
What is the molecular formula of N-Aminodihydrothebainonium methyl ether chloride?
The molecular formula of N-Aminodihydrothebainonium methyl ether chloride is C19H27ClN2O3.
What is the molecular weight of N-Aminodihydrothebainonium methyl ether chloride?
The molecular weight of N-Aminodihydrothebainonium methyl ether chloride is 366.17 g/mol.
Where can I buy N-Aminodihydrothebainonium methyl ether chloride?
You can request a quote for N-Aminodihydrothebainonium methyl ether chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Aminodihydrothebainonium methyl ether chloride?
Yes, KEHONG BIO provides custom synthesis services for N-Aminodihydrothebainonium methyl ether chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.