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CAS 101626-70-4 TALIPEXOLE molecular structure lightbox
CAS RN: 101626-70-4

TALIPEXOLE

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250129 5mg / 10mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS101626-70-4
  • Purity/Analytical Methods: >99.0%
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101626-70-4 / 6-prop-2-enyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-amine

Talipexole | Talipexol | Talipexolum

Standard CAS: 101626-70-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
101626-70-4
Multi CAS
Yes
Molecular Formula
C10H15N3S
Molecular Weight
209.310000
Exact Mass
209.098669
SMILES
C=CCN1CCC2=C(CC1)SC(=N2)N
InChI
InChI=1S/C10H15N3S/c1-2-5-13-6-3-8-9(4-7-13)14-10(11)12-8/h2H,1,3-7H2,(H2,11,12)
InChIKey
DHSSDEDRBUKTQY-UHFFFAOYSA-N
Synonyms
Talipexole Talipexol Talipexolum 7AM2J46Z1Y DTXSID8046321

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
60.57
TPSA
42.15

LogP / Solubility

WLOGP
1.31
MLOGP
1.16
XLogP3
1.5
Consensus LogP
1.32
Log S (ESOL)
-2.1
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.22
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.35
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.07

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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