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CAS 125572-92-1 Rotigotine hydrochloride molecular structure lightbox
CAS RN: 125572-92-1

Rotigotine hydrochloride

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250424 50mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-030331
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.1g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 125572-92-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ＞97% 0 Out of Stock Shanghai Inquiry

125572-92-1 / (6R)-6-[propyl(2-thiophen-2-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol;hydrochloride

Standard CAS: 125572-92-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
125572-92-1
Multi CAS
No
Molecular Formula
C19H26ClNOS
Molecular Weight
351.900000
Exact Mass
351.142363
SMILES
CCCN(CCC1=CC=CS1)[C@@H]2CCC3=C(C2)C=CC=C3O.Cl
InChI
InChI=1S/C19H25NOS.ClH/c1-2-11-20(12-10-17-6-4-13-22-17)16-8-9-18-15(14-16)5-3-7-19(18)21;/h3-7,13,16,21H,2,8-12,14H2,1H3;1H/t16-;/m1./s1
InChIKey
CEXBONHIOKGWNU-PKLMIRHRSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
11
Fraction Csp3
0.47
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
1
Molar refractivity
101.05
TPSA
23.47

LogP / Solubility

WLOGP
4.69
MLOGP
4.14
XLogP3
4.69
Consensus LogP
4.51
Log S (ESOL)
-4.93
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.83
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.56
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.54

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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