[email protected]
CAS 105512-82-1 4-(4-PHENOXY-PHENYL)-THIAZOL-2-YLAMINE molecular structure lightbox
CAS RN: 105512-82-1

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

  • Product code: SSC-007236
GET A QUOTE
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
Request Bulk Quote

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 105512-82-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

105512-82-1 / 4-(4-phenoxyphenyl)-1,3-thiazol-2-amine

4-(4-Phenoxy-phenyl)-thiazol-2-ylamine | DTXSID40354731 | RefChem:288229

Standard CAS: 105512-82-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
105512-82-1
Multi CAS
No
Molecular Formula
C15H12N2OS
Molecular Weight
268.300000
Exact Mass
268.067034
SMILES
C1=CC=C(C=C1)OC2=CC=C(C=C2)C3=CSC(=N3)N
InChI
InChI=1S/C15H12N2OS/c16-15-17-14(10-19-15)11-6-8-13(9-7-11)18-12-4-2-1-3-5-12/h1-10H,(H2,16,17)
InChIKey
AZZJNMYKYSAYPZ-UHFFFAOYSA-N
Synonyms
4-(4-Phenoxy-phenyl)-thiazol-2-ylamine DTXSID40354731 RefChem:288229 DTXCID70305791 4-(4-phenoxyphenyl)-1,3-thiazol-2-amine

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
17
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
78.48
TPSA
48.14

LogP / Solubility

WLOGP
4.18
MLOGP
3.69
XLogP3
3.8
Consensus LogP
3.89
Log S (ESOL)
-4.6
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.78
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.24
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.39

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)
Acute Toxic
Signal
Danger
GHS Hazard Statements
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P316, P321, P330, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us