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CAS 1112-33-0 D-(+)-PANTOICACID molecular structure lightbox
CAS RN: 1112-33-0

D-(+)-PANTOICACID

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250127 10mg / 25mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-012050
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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 1112-33-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

1112-33-0 / (2R)-2,4-dihydroxy-3,3-dimethylbutanoic acid

2,4-dihydroxy-3,3-dimethylbutanoic acid | DTXSID70861968 | RefChem:1059746

Standard CAS: 1112-33-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1112-33-0
Multi CAS
Yes
Molecular Formula
C6H12O4
Molecular Weight
148.160000
Exact Mass
148.073559
SMILES
CC(C)(CO)[C@H](C(=O)O)O
InChI
InChI=1S/C6H12O4/c1-6(2,3-7)4(8)5(9)10/h4,7-8H,3H2,1-2H3,(H,9,10)/t4-/m0/s1
InChIKey
OTOIIPJYVQJATP-BYPYZUCNSA-N
Synonyms
2,4-dihydroxy-3,3-dimethylbutanoic acid DTXSID70861968 RefChem:1059746 DTXCID30810811 (S)-2,4-Dihydroxy-3,3-dimethylbutanoic acid

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.83
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
3
Molar refractivity
34.51
TPSA
77.76

LogP / Solubility

WLOGP
-0.55
MLOGP
-0.49
XLogP3
-0.3
Consensus LogP
-0.45
Log S (ESOL)
-0.21
Class (ESOL)
Very soluble
Log S (Ali)
-0.38
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.53
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-4.01

Drug-likeness / Medicinal Chemistry

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

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