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CAS 117384-45-9 Di-tert-butyl L-(+)-Tartrate molecular structure lightbox
CAS RN: 117384-45-9

Di-tert-butyl L-(+)-Tartrate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250915 200mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-017218
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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 117384-45-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

117384-45-9 / ditert-butyl (2R,3R)-2,3-dihydroxybutanedioate

di-tert-butyl tartrate | DTXSID40300051 | RefChem:336908

Standard CAS: 117384-45-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
117384-45-9
Multi CAS
Yes
Molecular Formula
C12H22O6
Molecular Weight
262.300000
Exact Mass
262.141638
SMILES
CC(C)(C)OC(=O)[C@@H]([C@H](C(=O)OC(C)(C)C)O)O
InChI
InChI=1S/C12H22O6/c1-11(2,3)17-9(15)7(13)8(14)10(16)18-12(4,5)6/h7-8,13-14H,1-6H3/t7-,8-/m1/s1
InChIKey
ITWOKJQQGHCDBL-HTQZYQBOSA-N
Synonyms
di-tert-butyl tartrate DTXSID40300051 RefChem:336908 DTXCID50251186 ditert-butyl 2,3-dihydroxybutanedioate

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.83
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
2
Molar refractivity
63.7
TPSA
93.06

LogP / Solubility

WLOGP
0.39
MLOGP
0.35
XLogP3
0.9
Consensus LogP
0.55
Log S (ESOL)
-1.51
Class (ESOL)
Soluble
Log S (Ali)
-1.99
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.05
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.04

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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