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CAS 15850-29-0 4-(4-ETHOXY-PHENYL)-THIAZOL-2-YLAMINE molecular structure lightbox
CAS RN: 15850-29-0

4-(4-ETHOXY-PHENYL)-THIAZOL-2-YLAMINE

  • Product code: SSC-066850
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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 15850-29-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

15850-29-0 / 4-(4-ethoxyphenyl)-1,3-thiazol-2-amine

Standard CAS: 15850-29-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
15850-29-0
Multi CAS
No
Molecular Formula
C11H12N2OS
Molecular Weight
220.290000
Exact Mass
220.067034
SMILES
CCOC1=CC=C(C=C1)C2=CSC(=N2)N
InChI
InChI=1S/C11H12N2OS/c1-2-14-9-5-3-8(4-6-9)10-7-15-11(12)13-10/h3-7H,2H2,1H3,(H2,12,13)
InChIKey
DBVFYWQXVNAKCZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
11
Fraction Csp3
0.18
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
63.13
TPSA
48.14

LogP / Solubility

WLOGP
2.79
MLOGP
2.46
XLogP3
2.9
Consensus LogP
2.72
Log S (ESOL)
-3.31
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.38
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.77
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)
-2.08

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501

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