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CAS 112898-19-8 (S)-BOC-5,5-DIMETHYL-1,3-THIAZOLIDINE-4-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 112898-19-8

(S)-BOC-5,5-DIMETHYL-1,3-THIAZOLIDINE-4-CARBOXYLIC ACID

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250803 1g Out of stock 15 business days Inquiry
  • Product code: SSC-013155
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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: 0.25g
  • 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 112898-19-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

112898-19-8 / (4S)-5,5-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazolidine-4-carboxylic acid

Boc-(R)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid | BOC-(S)-5,5-DIMETHYL-1,3-THIAZOLIDINE-4-CARBOXYLIC ACID | Boc-DL-Dtc-OH

Standard CAS: 112898-19-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
112898-19-8
Multi CAS
Yes
Molecular Formula
C11H19NO4S
Molecular Weight
261.340000
Exact Mass
261.103479
SMILES
CC1([C@@H](N(CS1)C(=O)OC(C)(C)C)C(=O)O)C
InChI
InChI=1S/C11H19NO4S/c1-10(2,3)16-9(15)12-6-17-11(4,5)7(12)8(13)14/h7H,6H2,1-5H3,(H,13,14)/t7-/m0/s1
InChIKey
FZSPELSRTNXPPY-ZETCQYMHSA-N
Synonyms
Boc-(R)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid BOC-(S)-5,5-DIMETHYL-1,3-THIAZOLIDINE-4-CARBOXYLIC ACID Boc-DL-Dtc-OH SCHEMBL629003 MFCD00037431

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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