CAS RN: 437-74-1
Xanthinol nicotinate
Product Availability
Choose a grade to view its available package options.
8 package records7 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250612 | 25mg / 100mg / 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251125 | 100mg | In stock | Shanghai, Wuhan | Inquiry | |
| Batchno.20250715 | 10mg | In stock | Shanghai, Wuhan | Inquiry | |
| Batchno.20260113 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20260628 | 1mg | In stock | Shanghai, Tianjin, Wuhan | Inquiry | |
| Batchno.20260417 | 25g | In stock | Shanghai | Inquiry | |
| Batchno.20250121 | 50mg | In stock | Shanghai, Tianjin, Wuhan | Inquiry | |
| Batchno.20251209 | 5g | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS437-74-1
- Purity/Analytical Methods: >99.0%
437-74-1 / 7-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propyl]-1,3-dimethylpurine-2,6-dione;pyridine-3-carboxylic acid
Basic Information
CAS
437-74-1
Multi CAS
Yes
Molecular Formula
C19H26N6O6
Molecular Weight
434.400000
Exact Mass
434.191383
InChI
InChI=1S/C13H21N5O4.C6H5NO2/c1-15(4-5-19)6-9(20)7-18-8-14-11-10(18)12(21)17(3)13(22)16(11)2;8-6(9)5-2-1-3-7-4-5/h8-9,19-20H,4-7H2,1-3H3;1-4H,(H,8,9)
InChIKey
GEPMAHVDJHFBJI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
15
Fraction Csp3
0.42
Rotatable bonds
7
H-bond acceptors
11
H-bond donors
3
Molar refractivity
112
TPSA
155.71
LogP / Solubility
WLOGP
-1.5
MLOGP
-1.29
XLogP3
-1.5
Consensus LogP
-1.43
Log S (ESOL)
-1.48
Class (ESOL)
Soluble
Log S (Ali)
-2.04
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.08
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)
-6.44
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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