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CAS 99822-80-7 ethyl 4-phenylthiazole-5-carboxylate molecular structure lightbox
CAS RN: 99822-80-7

ethyl 4-phenylthiazole-5-carboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251112 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-213358
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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 99822-80-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

99822-80-7 / ethyl 4-phenyl-1,3-thiazole-5-carboxylate

Standard CAS: 99822-80-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
99822-80-7
Multi CAS
No
Molecular Formula
C12H11NO2S
Molecular Weight
233.290000
Exact Mass
233.051050
InChI
InChI=1S/C12H11NO2S/c1-2-15-12(14)11-10(13-8-16-11)9-6-4-3-5-7-9/h3-8H,2H2,1H3
InChIKey
VUBSBLCFFDSRJO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
11
Fraction Csp3
0.17
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
63.51
TPSA
39.19

LogP / Solubility

WLOGP
2.99
MLOGP
2.63
XLogP3
3.2
Consensus LogP
2.94
Log S (ESOL)
-3.48
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.63
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.02
Class (SILICOS-IT)
Slightly 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)
-2.02

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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