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CAS 30709-71-8 5-Thiazolecarboxylicacid, 2-pentyl- molecular structure lightbox
CAS RN: 30709-71-8

5-Thiazolecarboxylicacid, 2-pentyl-

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251222 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS30709-71-8
  • Purity/Analytical Methods: >99.0%
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30709-71-8 / 2-pentyl-1,3-thiazole-5-carboxylic acid

Standard CAS: 30709-71-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
30709-71-8
Multi CAS
No
Molecular Formula
C9H13NO2S
Molecular Weight
199.270000
Exact Mass
199.066700
InChI
InChI=1S/C9H13NO2S/c1-2-3-4-5-8-10-6-7(13-8)9(11)12/h6H,2-5H2,1H3,(H,11,12)
InChIKey
JUAWFSIKJVERBY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
5
Fraction Csp3
0.56
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
52.3
TPSA
50.19

LogP / Solubility

WLOGP
2.57
MLOGP
2.27
XLogP3
3.1
Consensus LogP
2.65
Log S (ESOL)
-2.65
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.05
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.69
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.11

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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