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CAS 138-59-0 Shikimic Acid molecular structure lightbox
CAS RN: 138-59-0

Shikimic Acid

Product Availability

Choose a grade to view its available package options.

6 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250702 1ml In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250526 100g In stock Shanghai, Shenzhen Inquiry
Batchno.20260128 1kg In stock Shanghai Inquiry
Batchno.20250811 25g In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20251008 500g In stock Shanghai Inquiry
Batchno.20260428 5g In stock Shanghai Inquiry
  • Product code: SSC-047957
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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: 100g
  • Available purity: ≥97%
  • 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 138-59-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥97% 0 Out of Stock Shenzhen Inquiry

138-59-0 / (3R,4S,5R)-3,4,5-trihydroxycyclohexene-1-carboxylic acid

Standard CAS: 138-59-0 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
138-59-0
Multi CAS
No
Molecular Formula
C7H10O5
Molecular Weight
174.150000
Exact Mass
174.052823
SMILES
C1[C@H]([C@@H]([C@@H](C=C1C(=O)O)O)O)O
InChI
InChI=1S/C7H10O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,4-6,8-10H,2H2,(H,11,12)/t4-,5-,6-/m1/s1
InChIKey
JXOHGGNKMLTUBP-HSUXUTPPSA-N

Physical Properties

Melting Point
183-184.5 °C 186 °C
Physical Description
Solid; [Merck Index] White powder; Solid
Appearance
Needles from methanol/ethyl acetate
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.57
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
4
Molar refractivity
38.36
TPSA
97.99

LogP / Solubility

WLOGP
-1.52
MLOGP
-1.34
XLogP3
-1.7
Consensus LogP
-1.52
Log S (ESOL)
0.1
Class (ESOL)
Highly soluble
Log S (Ali)
0.11
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.35
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
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)
-4.86

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

Safety & Transport

Pictogram(s)
Corrosive
Signal
Danger
GHS Hazard Statements
H318 (86.1%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P264+P265, P280, P305+P354+P338, and P317

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