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CAS 138-55-6 Picrocrocin molecular structure lightbox
CAS RN: 138-55-6

Picrocrocin

Product Availability

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6 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250115 100mg In stock Shanghai Inquiry
Batchno.20260204 1mg In stock Shanghai Inquiry
Batchno.20250908 250mg In stock Shanghai Inquiry
Batchno.20260529 25mg In stock Shanghai Inquiry
Batchno.20260619 50mg In stock Shanghai Inquiry
Batchno.20260206 5mg In stock Shanghai Inquiry
  • Product code: SSC-047956
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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 138-55-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

138-55-6 / (4R)-2,6,6-trimethyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexene-1-carbaldehyde

Standard CAS: 138-55-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
138-55-6
Multi CAS
No
Molecular Formula
C16H26O7
Molecular Weight
330.370000
Exact Mass
330.167853
SMILES
CC1=C(C(C[C@@H](C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)(C)C)C=O
InChI
InChI=1S/C16H26O7/c1-8-4-9(5-16(2,3)10(8)6-17)22-15-14(21)13(20)12(19)11(7-18)23-15/h6,9,11-15,18-21H,4-5,7H2,1-3H3/t9-,11-,12-,13+,14-,15-/m1/s1
InChIKey
WMHJCSAICLADIN-WYWSWGBSSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Fraction Csp3
0.81
Rotatable bonds
4
H-bond acceptors
7
H-bond donors
4
Molar refractivity
80.42
TPSA
116.45

LogP / Solubility

WLOGP
-0.49
MLOGP
-0.42
XLogP3
-0.5
Consensus LogP
-0.47
Log S (ESOL)
-1.31
Class (ESOL)
Soluble
Log S (Ali)
-1.91
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.88
Class (SILICOS-IT)
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)
-5.09

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
5.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Precautionary Statement Codes
P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, and P501

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