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CAS 21967-41-9 Baicalin molecular structure lightbox
CAS RN: 21967-41-9

Baicalin

Product Availability

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15 package records15 with current stock4 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250110 100g In stock Shanghai, Wuhan Inquiry
Batchno.20260525 25g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20250601 500g In stock Shanghai Inquiry
Batchno.20260422 5g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260206 100mg In stock Inquiry
Batchno.20250508 10mg In stock Inquiry
Batchno.20250914 50mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260223 100g In stock Inquiry
Batchno.20260322 1g In stock Inquiry
Batchno.20250505 200mg In stock Inquiry
Batchno.20250814 25g In stock Inquiry
Batchno.20251106 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250626 1g In stock Inquiry
Batchno.20251208 200mg In stock Inquiry
Batchno.20260628 5g In stock Inquiry
  • Product code: SSC-105645
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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: ≥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 21967-41-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥95% 0 Out of Stock Beijing Inquiry

21967-41-9 / (2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenylchromen-7-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

Standard CAS: 21967-41-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
21967-41-9
Multi CAS
No
Molecular Formula
C21H18O11
Molecular Weight
446.400000
Exact Mass
446.084911
SMILES
C1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O)O
InChI
InChI=1S/C21H18O11/c22-9-6-10(8-4-2-1-3-5-8)30-11-7-12(14(23)15(24)13(9)11)31-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21,23-27H,(H,28,29)/t16-,17-,18+,19-,21+/m0/s1
InChIKey
IKIIZLYTISPENI-ZFORQUDYSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
16
Fraction Csp3
0.24
Rotatable bonds
4
H-bond acceptors
10
H-bond donors
6
Molar refractivity
106.19
TPSA
187.12

LogP / Solubility

WLOGP
0.14
MLOGP
0.15
XLogP3
1.1
Consensus LogP
0.46
Log S (ESOL)
-2.8
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.32
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.16
Class (SILICOS-IT)
Poorly 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)
-5.34

Drug-likeness / Medicinal Chemistry

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

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