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CAS 1053656-51-1 5-tert-butyl 2-ethyl 6,7-dihydrothiazolo[5,4-c]pyridine-2,5(4H)-dicarboxylate molecular structure lightbox
CAS RN: 1053656-51-1

5-tert-butyl 2-ethyl 6,7-dihydrothiazolo[5,4-c]pyridine-2,5(4H)-dicarboxylate

Product Availability

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250323 10g In stock Shanghai Inquiry
Batchno.20250310 1g In stock Shanghai Inquiry
Batchno.20250417 250mg In stock Shanghai Inquiry
Batchno.20250706 50mg / 250mg Out of stock 8-10 business days Inquiry
Batchno.20251209 5g In stock Shanghai Inquiry
  • Product code: SSC-007116
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g, 10g
  • Available purity: >97%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1053656-51-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 5 In Stock Shanghai Inquiry
0.25g >97% 5 In Stock Shanghai Inquiry
1g >97% 5 In Stock Shenzhen Inquiry
5g >97% 5 In Stock Shanghai Inquiry
10g >97% 3 In Stock Beijing Inquiry

1053656-51-1 / 5-O-tert-butyl 2-O-ethyl 6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2,5-dicarboxylate

5-TERT-BUTYL 2-ETHYL 6,7-DIHYDROTHIAZOLO[5,4-C]PYRIDINE-2,5(4H)-DICARBOXYLATE | Ethyl 5-Boc-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine-2-carboxylate | MFCD11109462

Standard CAS: 1053656-51-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1053656-51-1
Multi CAS
Yes
Molecular Formula
C14H20N2O4S
Molecular Weight
312.390000
Exact Mass
312.114378
SMILES
CCOC(=O)C1=NC2=C(S1)CN(CC2)C(=O)OC(C)(C)C
InChI
InChI=1S/C14H20N2O4S/c1-5-19-12(17)11-15-9-6-7-16(8-10(9)21-11)13(18)20-14(2,3)4/h5-8H2,1-4H3
InChIKey
ZCUHIQJCEMMTLK-UHFFFAOYSA-N
Synonyms
5-TERT-BUTYL 2-ETHYL 6,7-DIHYDROTHIAZOLO[5,4-C]PYRIDINE-2,5(4H)-DICARBOXYLATE Ethyl 5-Boc-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine-2-carboxylate MFCD11109462 5-O-tert-butyl 2-O-ethyl 6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2,5-dicarboxylate 5-tert-Butyl 2-ethyl 6,7-dihydrothiazolo-[5,4-c]pyridine-2,5(4H)-dicarboxylate

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
5
Fraction Csp3
0.64
Rotatable bonds
2
H-bond acceptors
6
Molar refractivity
78.42
TPSA
68.73

LogP / Solubility

WLOGP
2.61
MLOGP
2.31
XLogP3
2.3
Consensus LogP
2.41
Log S (ESOL)
-3.47
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.01
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.1
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.77

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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