CAS RN: 37988-18-4
LM 22A4
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260524 | 5mg / 10mg / 50mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS37988-18-4
- Purity/Analytical Methods: >99.0%
37988-18-4 / 1-N,3-N,5-N-tris(2-hydroxyethyl)benzene-1,3,5-tricarboxamide
Basic Information
CAS
37988-18-4
Multi CAS
Yes
Molecular Formula
C15H21N3O6
Molecular Weight
339.340000
Exact Mass
339.143035
InChI
InChI=1S/C15H21N3O6/c19-4-1-16-13(22)10-7-11(14(23)17-2-5-20)9-12(8-10)15(24)18-3-6-21/h7-9,19-21H,1-6H2,(H,16,22)(H,17,23)(H,18,24)
InChIKey
RGWJKANXFYJKHN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
9
H-bond acceptors
6
H-bond donors
6
Molar refractivity
84.7
TPSA
147.99
LogP / Solubility
WLOGP
-2.15
MLOGP
-1.87
XLogP3
-2.3
Consensus LogP
-2.11
Log S (ESOL)
-0.18
Class (ESOL)
Very soluble
Log S (Ali)
-0.79
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.16
Class (SILICOS-IT)
Soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.31
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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