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CAS 380437-02-5 (4,4-DIMETHYL-4,5-DIHYDRO-THIAZOL-2-YL)-(2,5-DIMETHYL-PHENYL)-AMINE molecular structure lightbox
CAS RN: 380437-02-5

(4,4-DIMETHYL-4,5-DIHYDRO-THIAZOL-2-YL)-(2,5-DIMETHYL-PHENYL)-AMINE

  • Product code: SSC-145528
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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: 0.25g
  • 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 380437-02-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

380437-02-5 / N-(2,5-dimethylphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine

Standard CAS: 380437-02-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
380437-02-5
Multi CAS
No
Molecular Formula
C13H18N2S
Molecular Weight
234.360000
Exact Mass
234.119070
InChI
InChI=1S/C13H18N2S/c1-9-5-6-10(2)11(7-9)14-12-15-13(3,4)8-16-12/h5-7H,8H2,1-4H3,(H,14,15)
InChIKey
ZIPMWPIXZPPQQL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
73.51
TPSA
24.39

LogP / Solubility

WLOGP
3.6
MLOGP
3.17
XLogP3
3
Consensus LogP
3.26
Log S (ESOL)
-3.77
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.08
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.29
Class (SILICOS-IT)
Slightly 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)
-1.6

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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