CAS RN: 455303-00-1
ALIZARIN COMPLEXONE DIHYDRATE, INDICATOR GRADE, PURE
Product Availability
Choose a grade to view its available package options.
11 package records10 with current stock4 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260401 | 500ml | In stock | Shanghai, Shandong, Guangdong, Chongqing, Hebei | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250917 | 1g | In stock | Shanghai, Shandong, Guangdong, Hebei | Inquiry | |
| Batchno.20260430 | 200mg | In stock | Shanghai, Guangdong, Chongqing | Inquiry | |
| Batchno.20260304 | 25g | In stock | Shanghai | Inquiry | |
| Batchno.20260410 | 5g | In stock | Shanghai, Chongqing | Inquiry |
- Product code: starshine_CAS455303-00-1
- Purity/Analytical Methods: >99.0%
455303-00-1 / 2-[carboxymethyl-[(3,4-dihydroxy-9,10-dioxoanthracen-2-yl)methyl]amino]acetic acid;hydrate
Basic Information
CAS
455303-00-1
Multi CAS
Yes
Molecular Formula
C19H17NO9
Molecular Weight
403.300000
Exact Mass
403.090331
InChI
InChI=1S/C19H15NO8.2H2O/c21-13(22)7-20(8-14(23)24)6-9-5-12-15(19(28)16(9)25)18(27)11-4-2-1-3-10(11)17(12)26;;/h1-5,25,28H,6-8H2,(H,21,22)(H,23,24);2*1H2
InChIKey
LLNGUADXYFYGGJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
12
Fraction Csp3
0.16
Rotatable bonds
6
H-bond acceptors
7
H-bond donors
4
Molar refractivity
97.24
TPSA
183.94
LogP / Solubility
WLOGP
0.02
MLOGP
0.04
XLogP3
0.02
Consensus LogP
0.03
Log S (ESOL)
-2.26
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.88
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.02
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)
-5.17
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
2.5
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