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CAS 845885-88-3 [2-[1-(TERT-BUTOXYCARBONYL)PIPERIDIN-4-YL]-5-METHYL-1,3-THIAZOL-4-YL]ACETIC ACID molecular structure lightbox
CAS RN: 845885-88-3

[2-[1-(TERT-BUTOXYCARBONYL)PIPERIDIN-4-YL]-5-METHYL-1,3-THIAZOL-4-YL]ACETIC ACID

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251110 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS845885-88-3
  • Purity/Analytical Methods: >99.0%
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845885-88-3 / 2-[5-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-thiazol-4-yl]acetic acid

Standard CAS: 845885-88-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
845885-88-3
Multi CAS
No
Molecular Formula
C16H24N2O4S
Molecular Weight
340.400000
Exact Mass
340.145678
InChI
InChI=1S/C16H24N2O4S/c1-10-12(9-13(19)20)17-14(23-10)11-5-7-18(8-6-11)15(21)22-16(2,3)4/h11H,5-9H2,1-4H3,(H,19,20)
InChIKey
IHHZQULPYDMAOP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
5
Fraction Csp3
0.69
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
87.97
TPSA
79.73

LogP / Solubility

WLOGP
3.19
MLOGP
2.83
XLogP3
2.3
Consensus LogP
2.77
Log S (ESOL)
-3.93
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.66
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.88
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.53

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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