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CAS 1241725-84-7 4,5,6,7-Tetrahydrothiazolo[5,4-c]pyridine hydrochloride molecular structure lightbox
CAS RN: 1241725-84-7

4,5,6,7-Tetrahydrothiazolo[5,4-c]pyridine hydrochloride

  • Product code: SSC-028019
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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: 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 1241725-84-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

1241725-84-7 / 4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;hydrochloride

Standard CAS: 1241725-84-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1241725-84-7
Multi CAS
No
Molecular Formula
C6H9ClN2S
Molecular Weight
176.670000
Exact Mass
176.017497
SMILES
C1CNCC2=C1N=CS2.Cl
InChI
InChI=1S/C6H8N2S.ClH/c1-2-7-3-6-5(1)8-4-9-6;/h4,7H,1-3H2;1H
InChIKey
KHTQBEIQKYEJEI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
44.77
TPSA
24.92

LogP / Solubility

WLOGP
1.21
MLOGP
1.06
XLogP3
1.21
Consensus LogP
1.16
Log S (ESOL)
-2.07
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.88
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.81
Class (SILICOS-IT)
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)
-2.94

Drug-likeness / Medicinal Chemistry

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

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