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CAS 212009-06-8 ethyl 2-(N-tert-butoxycarbonyl-2,4-pyrrolidinyl)thiazole-4-carboxylate molecular structure lightbox
CAS RN: 212009-06-8

ethyl 2-(N-tert-butoxycarbonyl-2,4-pyrrolidinyl)thiazole-4-carboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260415 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-101250
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 212009-06-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

212009-06-8 / ethyl 2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate

Standard CAS: 212009-06-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
212009-06-8
Multi CAS
No
Molecular Formula
C15H22N2O4S
Molecular Weight
326.400000
Exact Mass
326.130028
SMILES
CCOC(=O)C1=CSC(=N1)[C@@H]2CCCN2C(=O)OC(C)(C)C
InChI
InChI=1S/C15H22N2O4S/c1-5-20-13(18)10-9-22-12(16-10)11-7-6-8-17(11)14(19)21-15(2,3)4/h9,11H,5-8H2,1-4H3/t11-/m0/s1
InChIKey
OSFHQAFUFJAFEM-NSHDSACASA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
5
Fraction Csp3
0.67
Rotatable bonds
3
H-bond acceptors
6
Molar refractivity
82.99
TPSA
68.73

LogP / Solubility

WLOGP
3.39
MLOGP
3
XLogP3
2.7
Consensus LogP
3.03
Log S (ESOL)
-3.97
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.69
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.96
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)
-2.3

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

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