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CAS 1401-20-3 SAFFRON POWDER molecular structure lightbox
CAS RN: 1401-20-3

SAFFRON POWDER

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251101 100g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20250626 1g In stock Shanghai, Wuhan Inquiry
Batchno.20260619 25g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20250808 5g In stock Shanghai, Tianjin Inquiry
  • Product code: SSC-050583
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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 1401-20-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shanghai Inquiry

1401-20-3 / (E)-3-(4-hydroxyphenyl)-1-[3,4,6-trihydroxy-2-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-en-1-one

Standard CAS: 1401-20-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1401-20-3
Multi CAS
No
Molecular Formula
C21H22O11
Molecular Weight
450.400000
Exact Mass
450.116212
SMILES
C1=CC(=CC=C1/C=C/C(=O)C2=C(C(=C(C=C2O)O)O)OC3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O
InChI
InChI=1S/C21H22O11/c22-8-14-17(28)18(29)19(30)21(31-14)32-20-15(12(25)7-13(26)16(20)27)11(24)6-3-9-1-4-10(23)5-2-9/h1-7,14,17-19,21-23,25-30H,8H2/b6-3+/t14-,17-,18+,19-,21?/m1/s1
InChIKey
CDYQWSDJFXZWAX-KWEGHWBSSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
12
Fraction Csp3
0.29
Rotatable bonds
6
H-bond acceptors
11
H-bond donors
8
Molar refractivity
107.3
TPSA
197.37

LogP / Solubility

WLOGP
-0.42
MLOGP
-0.34
XLogP3
0.7
Consensus LogP
-0.02
Log S (ESOL)
-2.25
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.95
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.96
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.76

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5

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