CAS RN: 1094451-90-7
UCM05
Product Availability
Choose a grade to view its available package options.
8 package records8 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251019 | 100mg | In stock | Inquiry | |
| Batchno.20250810 | 10mg | In stock | Inquiry | |
| Batchno.20250216 | 1mg | In stock | Inquiry | |
| Batchno.20251011 | 250mg | In stock | Inquiry | |
| Batchno.20250818 | 25mg | In stock | Inquiry | |
| Batchno.20250215 | 50mg | In stock | Inquiry | |
| Batchno.20250913 | 5mg | In stock | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250801 | 5mg / 10mg / 25mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1094451-90-7
- Purity/Analytical Methods: >99.0%
1094451-90-7 / [4-(3,4,5-trihydroxybenzoyl)oxynaphthalen-2-yl] 3,4,5-trihydroxybenzoate
1,3-Bis[(3,4,5-Trihydroxybenzoyl)Oxy]Naphthalene | 1,3-Bis((3,4,5-trihydroxybenzoyl)oxy)naphthalene | RefChem:906856
Basic Information
CAS
1094451-90-7
Multi CAS
No
Molecular Formula
C24H16O10
Molecular Weight
464.400000
Exact Mass
464.074347
SMILES
C1=CC=C2C(=C1)C=C(C=C2OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O
InChI
InChI=1S/C24H16O10/c25-16-6-12(7-17(26)21(16)29)23(31)33-14-5-11-3-1-2-4-15(11)20(10-14)34-24(32)13-8-18(27)22(30)19(28)9-13/h1-10,25-30H
InChIKey
KJCWIWDPTNVWRX-UHFFFAOYSA-N
Synonyms
1,3-Bis[(3,4,5-Trihydroxybenzoyl)Oxy]Naphthalene
1,3-Bis((3,4,5-trihydroxybenzoyl)oxy)naphthalene
RefChem:906856
G28UCM
UCM05
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
22
Rotatable bonds
4
H-bond acceptors
10
H-bond donors
6
Molar refractivity
116.74
TPSA
173.98
LogP / Solubility
WLOGP
3.51
MLOGP
3.12
XLogP3
3.9
Consensus LogP
3.51
Log S (ESOL)
-5.15
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.9
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.07
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.06
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
3
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