6a-alpha-Aporphin-1-ol, 2,11-dimethoxy-, hydrochloride
TL;DR: 6a-alpha-Aporphin-1-ol, 2,11-dimethoxy-, hydrochloride (CAS 25650-97-9) is a chemical compound with molecular formula C19H22ClNO3 and molecular weight 347.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6aS)-2,11-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-ium-1-ol chloride
Also Known As: Isothebaine hydrochloride, 2,11-Dimethoxy-6a-alpha-aporphin-1-ol hydrochloride, 6a-alpha-APORPHIN-1-OL, 2,11-DIMETHOXY-, HYDROCHLORIDE, 4H-Dibenzo(de,g)quinolin-1-ol, 5,6,6a,7-tetrahydro-2,11-dimethoxy-6-methyl-, HCl, (S)-, RefChem:309446
| Molecular Formula | C19H22ClNO3 |
|---|---|
| Molecular Weight | 347.13 g/mol |
| LogP | -1.25 |
| Topological Polar Surface Area | 43.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 347.1288 |
| Heavy Atoms | 24 |
| Complexity | 431.0 |
Chemical Identifiers
| CAS Number | 25650-97-9 |
|---|---|
| SMILES | C[NH+]1CCC2=CC(=C(C3=C2[C@@H]1CC4=C3C(=CC=C4)OC)O)OC.[Cl-] |
| InChIKey | QAYYSHAZDXVKBZ-ZOWNYOTGSA-N |
Product Overview
6a-alpha-Aporphin-1-ol, 2,11-dimethoxy-, hydrochloride (CAS 25650-97-9), with molecular formula C19H22ClNO3 and molecular weight 347.13 g/mol. IUPAC: (6aS)-2,11-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-ium-1-ol chloride.
Chemical Property Profile of 6a-alpha-Aporphin-1-ol, 2,11-dimethoxy-, hydrochloride
Property Insights of 6a-alpha-Aporphin-1-ol, 2,11-dimethoxy-, hydrochloride
The XLogP value of -1.25 indicates that 6a-alpha-Aporphin-1-ol, 2,11-dimethoxy-, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 43.1 Ų, 6a-alpha-Aporphin-1-ol, 2,11-dimethoxy-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6a-alpha-Aporphin-1-ol, 2,11-dimethoxy-, hydrochloride has 2 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 6a-alpha-Aporphin-1-ol, 2,11-dimethoxy-, hydrochloride?
The CAS number of 6a-alpha-Aporphin-1-ol, 2,11-dimethoxy-, hydrochloride is 25650-97-9.
What is the molecular formula of 6a-alpha-Aporphin-1-ol, 2,11-dimethoxy-, hydrochloride?
The molecular formula of 6a-alpha-Aporphin-1-ol, 2,11-dimethoxy-, hydrochloride is C19H22ClNO3.
What is the molecular weight of 6a-alpha-Aporphin-1-ol, 2,11-dimethoxy-, hydrochloride?
The molecular weight of 6a-alpha-Aporphin-1-ol, 2,11-dimethoxy-, hydrochloride is 347.13 g/mol.
Where can I buy 6a-alpha-Aporphin-1-ol, 2,11-dimethoxy-, hydrochloride?
You can request a quote for 6a-alpha-Aporphin-1-ol, 2,11-dimethoxy-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6a-alpha-Aporphin-1-ol, 2,11-dimethoxy-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 6a-alpha-Aporphin-1-ol, 2,11-dimethoxy-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.