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CAS 86299-46-9 Ethyl 2-(2-aminothiazole-4-yl)-2-(1-tert-butoxycarbonyl-1-methylethoxyimino)acetate molecular structure lightbox
CAS RN: 86299-46-9

Ethyl 2-(2-aminothiazole-4-yl)-2-(1-tert-butoxycarbonyl-1-methylethoxyimino)acetate

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2 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260420 5g In stock Shanghai, Shandong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260121 25g Out of stock Inquiry
  • Product code: starshine_CAS86299-46-9
  • Purity/Analytical Methods: >99.0%
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86299-46-9 / tert-butyl 2-[[1-(2-amino-1,3-thiazol-4-yl)-2-ethoxy-2-oxoethylidene]amino]oxy-2-methylpropanoate

Standard CAS: 86299-46-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
86299-46-9
Multi CAS
Yes
Molecular Formula
C15H23N3O5S
Molecular Weight
357.400000
Exact Mass
357.135842
InChI
InChI=1S/C15H23N3O5S/c1-7-21-11(19)10(9-8-24-13(16)17-9)18-23-15(5,6)12(20)22-14(2,3)4/h8H,7H2,1-6H3,(H2,16,17)
InChIKey
GVGJDTAQZPCVCX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
5
Fraction Csp3
0.6
Rotatable bonds
6
H-bond acceptors
9
H-bond donors
1
Molar refractivity
90.71
TPSA
113.1

LogP / Solubility

WLOGP
2.13
MLOGP
1.89
XLogP3
3.1
Consensus LogP
2.37
Log S (ESOL)
-3.16
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.03
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.47
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.39

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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