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CAS 5317-15-7 (R)-3-(TERT-BUTOXYCARBONYL)-2,2-DIMETHYLTHIAZOLIDINE-4-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 5317-15-7

(R)-3-(TERT-BUTOXYCARBONYL)-2,2-DIMETHYLTHIAZOLIDINE-4-CARBOXYLIC ACID

  • Product code: SSC-160368
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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: ≥95%
  • 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 5317-15-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

5317-15-7 / (4R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazolidine-4-carboxylic acid

Standard CAS: 5317-15-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5317-15-7
Multi CAS
Yes
Molecular Formula
C11H19NO4S
Molecular Weight
261.340000
Exact Mass
261.103479
InChI
InChI=1S/C11H19NO4S/c1-10(2,3)16-9(15)12-7(8(13)14)6-17-11(12,4)5/h7H,6H2,1-5H3,(H,13,14)/t7-/m0/s1
InChIKey
MYZNHPUWNUGYOV-ZETCQYMHSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.82
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
66.03
TPSA
66.84

LogP / Solubility

WLOGP
2.16
MLOGP
1.91
XLogP3
1.9
Consensus LogP
1.99
Log S (ESOL)
-2.75
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.26
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.27
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.78

Drug-likeness / Medicinal Chemistry

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

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