Quinagolide hydrochloride, (3alpha,4aalpha,10abeta)-(+)-
TL;DR: Quinagolide hydrochloride, (3alpha,4aalpha,10abeta)-(+)- (CAS 97805-50-0) is a chemical compound with molecular formula C18H30ClN3O3S and molecular weight 403.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,4aS,10aR)-3-(ethylsulfamoylamino)-1-propyl-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]quinolin-6-ol;hydrochloride
Also Known As: Cid 105105, N-Desethyl Quinagolide Hydrochloride, Quinagolide hydrochloride, (3alpha,4aalpha,10abeta)-(+)-, (3S,4aS,10aR)-3-(ethylsulfamoylamino)-1-propyl-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]quinolin-6-ol;hydrochloride, Quinagolide hydrochloride, (3alpha,4aalpha,10abeta)-(+)-isomer
| Molecular Formula | C18H30ClN3O3S |
|---|---|
| Molecular Weight | 403.17 g/mol |
| LogP | 1.83 |
| Topological Polar Surface Area | 90.1 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 403.16965 |
| Heavy Atoms | 26 |
| Complexity | 536.0 |
Chemical Identifiers
| CAS Number | 97805-50-0 |
|---|---|
| SMILES | CCCN1C[C@H](C[C@H]2[C@H]1CC3=C(C2)C(=CC=C3)O)NS(=O)(=O)NCC.Cl |
| InChIKey | GQZBHFKSKODRFH-WKLLBTDKSA-N |
Product Overview
Quinagolide hydrochloride, (3alpha,4aalpha,10abeta)-(+)- (CAS 97805-50-0), with molecular formula C18H30ClN3O3S and molecular weight 403.17 g/mol. IUPAC: (3S,4aS,10aR)-3-(ethylsulfamoylamino)-1-propyl-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]quinolin-6-ol;hydrochloride.
Chemical Property Profile of Quinagolide hydrochloride, (3alpha,4aalpha,10abeta)-(+)-
Property Insights of Quinagolide hydrochloride, (3alpha,4aalpha,10abeta)-(+)-
The XLogP value of 1.83 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Quinagolide hydrochloride, (3alpha,4aalpha,10abeta)-(+)-. The TPSA of 90.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Quinagolide hydrochloride, (3alpha,4aalpha,10abeta)-(+)-. Following Lipinski's Rule of Five, Quinagolide hydrochloride, (3alpha,4aalpha,10abeta)-(+)- has 4 hydrogen bond donor(s) and 6 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 Quinagolide hydrochloride, (3alpha,4aalpha,10abeta)-(+)-?
The CAS number of Quinagolide hydrochloride, (3alpha,4aalpha,10abeta)-(+)- is 97805-50-0.
What is the molecular formula of Quinagolide hydrochloride, (3alpha,4aalpha,10abeta)-(+)-?
The molecular formula of Quinagolide hydrochloride, (3alpha,4aalpha,10abeta)-(+)- is C18H30ClN3O3S.
What is the molecular weight of Quinagolide hydrochloride, (3alpha,4aalpha,10abeta)-(+)-?
The molecular weight of Quinagolide hydrochloride, (3alpha,4aalpha,10abeta)-(+)- is 403.17 g/mol.
Where can I buy Quinagolide hydrochloride, (3alpha,4aalpha,10abeta)-(+)-?
You can request a quote for Quinagolide hydrochloride, (3alpha,4aalpha,10abeta)-(+)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Quinagolide hydrochloride, (3alpha,4aalpha,10abeta)-(+)-?
Yes, KEHONG BIO provides custom synthesis services for Quinagolide hydrochloride, (3alpha,4aalpha,10abeta)-(+)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.