Rotigotine hydrochloride
TL;DR: Rotigotine hydrochloride (CAS 102120-99-0) is a chemical compound with molecular formula C19H26ClNOS and molecular weight 351.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6S)-6-[propyl(2-thiophen-2-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol;hydrochloride
Also Known As: Rotigotine hydrochloride, Rotigotine HCl, Rotigotine, hydrochloride, Rotigitine
| Molecular Formula | C19H26ClNOS |
|---|---|
| Molecular Weight | 351.14 g/mol |
| LogP | 4.6875 |
| Topological Polar Surface Area | 52.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 351.14236 |
| Heavy Atoms | 23 |
| Complexity | 337.0 |
Chemical Identifiers
| CAS Number | 102120-99-0 |
|---|---|
| SMILES | CCCN(CCC1=CC=CS1)[C@H]2CCC3=C(C2)C=CC=C3O.Cl |
| InChIKey | CEXBONHIOKGWNU-NTISSMGPSA-N |
Product Overview
Rotigotine hydrochloride (CAS 102120-99-0), with molecular formula C19H26ClNOS and molecular weight 351.14 g/mol. IUPAC: (6S)-6-[propyl(2-thiophen-2-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol;hydrochloride.
Chemical Property Profile of Rotigotine hydrochloride
Property Insights of Rotigotine hydrochloride
The XLogP value of 4.6875 indicates that Rotigotine hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.9 Ų, Rotigotine hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Rotigotine hydrochloride 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 Rotigotine hydrochloride?
The CAS number of Rotigotine hydrochloride is 102120-99-0.
What is the molecular formula of Rotigotine hydrochloride?
The molecular formula of Rotigotine hydrochloride is C19H26ClNOS.
What is the molecular weight of Rotigotine hydrochloride?
The molecular weight of Rotigotine hydrochloride is 351.14 g/mol.
Where can I buy Rotigotine hydrochloride?
You can request a quote for Rotigotine hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Rotigotine hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Rotigotine hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.