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CAS 391248-15-0 (R)-4-CYANO-THIAZOLIDINE-3-CARBOXYLIC ACID TERT-BUTYL ESTER molecular structure lightbox
CAS RN: 391248-15-0

(R)-4-CYANO-THIAZOLIDINE-3-CARBOXYLIC ACID TERT-BUTYL ESTER

Product Availability

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2 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260415 1g / 5g / 25g Out of stock 5-7 business days Inquiry
Batchno.20251223 250mg Out of stock Inquiry
  • Product code: starshine_CAS391248-15-0
  • Purity/Analytical Methods: >99.0%
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391248-15-0 / tert-butyl (4R)-4-cyano-1,3-thiazolidine-3-carboxylate

Standard CAS: 391248-15-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
391248-15-0
Multi CAS
Yes
Molecular Formula
C9H14N2O2S
Molecular Weight
214.290000
Exact Mass
214.077599
InChI
InChI=1S/C9H14N2O2S/c1-9(2,3)13-8(12)11-6-14-5-7(11)4-10/h7H,5-6H2,1-3H3/t7-/m1/s1
InChIKey
HTZOKOCBWIYDLT-SSDOTTSWSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.78
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
54.8
TPSA
53.33

LogP / Solubility

WLOGP
1.82
MLOGP
1.6
XLogP3
1.5
Consensus LogP
1.64
Log S (ESOL)
-2.32
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.63
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.56
Class (SILICOS-IT)
Moderately 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)
-2.73

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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