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CAS 80625-18-9 METHYL 2-AMINO-5-PHENYL-1,3-THIAZOLE-4-CARBOXYLATE molecular structure lightbox
CAS RN: 80625-18-9

METHYL 2-AMINO-5-PHENYL-1,3-THIAZOLE-4-CARBOXYLATE

  • Product code: SSC-189371
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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 80625-18-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

80625-18-9 / methyl 2-amino-5-phenyl-1,3-thiazole-4-carboxylate

Standard CAS: 80625-18-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
80625-18-9
Multi CAS
No
Molecular Formula
C11H10N2O2S
Molecular Weight
234.280000
Exact Mass
234.046299
InChI
InChI=1S/C11H10N2O2S/c1-15-10(14)8-9(16-11(12)13-8)7-5-3-2-4-6-7/h2-6H,1H3,(H2,12,13)
InChIKey
FKNMSTRVGQEASS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
11
Fraction Csp3
0.09
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
63.3
TPSA
65.21

LogP / Solubility

WLOGP
2.18
MLOGP
1.92
XLogP3
2.5
Consensus LogP
2.2
Log S (ESOL)
-3.04
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.05
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.23
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)
-2.6

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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