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CAS 99822-84-1 4-Phenylthiazole-5-carboxylic acid molecular structure lightbox
CAS RN: 99822-84-1

4-Phenylthiazole-5-carboxylic acid

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250627 100mg In stock Shanghai Inquiry
Batchno.20260328 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
Batchno.20260617 1g In stock Shanghai Inquiry
Batchno.20251206 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS99822-84-1
  • Purity/Analytical Methods: >99.0%
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99822-84-1 / 4-phenyl-1,3-thiazole-5-carboxylic acid

Standard CAS: 99822-84-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
99822-84-1
Multi CAS
No
Molecular Formula
C10H7NO2S
Molecular Weight
205.230000
Exact Mass
205.019750
InChI
InChI=1S/C10H7NO2S/c12-10(13)9-8(11-6-14-9)7-4-2-1-3-5-7/h1-6H,(H,12,13)
InChIKey
NGTZFWMOTDGMKO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
11
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
54.51
TPSA
50.19

LogP / Solubility

WLOGP
2.51
MLOGP
2.21
XLogP3
2.5
Consensus LogP
2.41
Log S (ESOL)
-3.14
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.05
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.32
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)
-2.19

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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