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CAS 2288710-66-5 (4-(4-Methylthiazol-5-yl)phenyl)methanamine hydrochloride molecular structure lightbox
CAS RN: 2288710-66-5

(4-(4-Methylthiazol-5-yl)phenyl)methanamine hydrochloride

  • Product code: SSC-111399
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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: ≥95%
  • 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 2288710-66-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

2288710-66-5 / [4-(4-methyl-1,3-thiazol-5-yl)phenyl]methanamine;hydrochloride

Standard CAS: 2288710-66-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2288710-66-5
Multi CAS
No
Molecular Formula
C11H13ClN2S
Molecular Weight
240.750000
Exact Mass
240.048797
SMILES
CC1=C(SC=N1)C2=CC=C(C=C2)CN.Cl
InChI
InChI=1S/C11H12N2S.ClH/c1-8-11(14-7-13-8)10-4-2-9(6-12)3-5-10;/h2-5,7H,6,12H2,1H3;1H
InChIKey
LPTNIIRGFCUEJT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
11
Fraction Csp3
0.18
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
67.43
TPSA
38.91

LogP / Solubility

WLOGP
3
MLOGP
2.64
XLogP3
3
Consensus LogP
2.88
Log S (ESOL)
-3.63
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.7
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.95
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.06

Drug-likeness / Medicinal Chemistry

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

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