Apomorphine Hydrochloride Hemihydrate
TL;DR: Apomorphine Hydrochloride Hemihydrate (CAS 58117-94-5) is a chemical compound with molecular formula C17H20ClNO3 and molecular weight 321.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol;hydrate;hydrochloride
Also Known As: Apokyn, Apomorphine HCl, Apomorphine hydrochloride hemihydrate, R-(-)-Apomorphine, Apomorphine hydrochloride
| Molecular Formula | C17H20ClNO3 |
|---|---|
| Molecular Weight | 321.11 g/mol |
| LogP | 2.447 |
| Topological Polar Surface Area | 75.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 321.11316 |
| Heavy Atoms | 22 |
| Complexity | 717.2905 |
Chemical Identifiers
| CAS Number | 58117-94-5 |
|---|---|
| SMILES | CN1CCC2=C3[C@H]1CC4=C(C3=CC=C2)C(=C(C=C4)O)O.O.Cl |
Product Overview
Apomorphine Hydrochloride Hemihydrate (CAS 58117-94-5), with molecular formula C17H20ClNO3 and molecular weight 321.11 g/mol. IUPAC: (6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol;hydrate;hydrochloride.
Chemical Property Profile of Apomorphine Hydrochloride Hemihydrate
Property Insights of Apomorphine Hydrochloride Hemihydrate
The XLogP value of 2.447 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Apomorphine Hydrochloride Hemihydrate. The TPSA of 75.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Apomorphine Hydrochloride Hemihydrate. Following Lipinski's Rule of Five, Apomorphine Hydrochloride Hemihydrate 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 Apomorphine Hydrochloride Hemihydrate?
The CAS number of Apomorphine Hydrochloride Hemihydrate is 58117-94-5.
What is the molecular formula of Apomorphine Hydrochloride Hemihydrate?
The molecular formula of Apomorphine Hydrochloride Hemihydrate is C17H20ClNO3.
What is the molecular weight of Apomorphine Hydrochloride Hemihydrate?
The molecular weight of Apomorphine Hydrochloride Hemihydrate is 321.11 g/mol.
Where can I buy Apomorphine Hydrochloride Hemihydrate?
You can request a quote for Apomorphine Hydrochloride Hemihydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Apomorphine Hydrochloride Hemihydrate?
Yes, KEHONG BIO provides custom synthesis services for Apomorphine Hydrochloride Hemihydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.