![CAS 10377-95-4 2-[bis(2-hydroxyethyl)amino]ethyl salicylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/10377-95-4.gif)
CAS RN: 10377-95-4
2-[bis(2-hydroxyethyl)amino]ethyl salicylate
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260614 | 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS10377-95-4
- Purity/Analytical Methods: >99.0%
10377-95-4 / 2-[bis(2-hydroxyethyl)amino]ethyl 2-hydroxybenzoate
Trolamine salicylate monoester | Benzoic acid, 2-hydroxy-, 2-[bis(2-hydroxyethyl)amino]ethyl ester | 058G76X4OV
Basic Information
CAS
10377-95-4
Multi CAS
No
Molecular Formula
C13H19NO5
Molecular Weight
269.290000
Exact Mass
269.126323
SMILES
C1=CC=C(C(=C1)C(=O)OCCN(CCO)CCO)O
InChI
InChI=1S/C13H19NO5/c15-8-5-14(6-9-16)7-10-19-13(18)11-3-1-2-4-12(11)17/h1-4,15-17H,5-10H2
InChIKey
NAFDCRMGWKHMJQ-UHFFFAOYSA-N
Synonyms
Trolamine salicylate monoester
Benzoic acid, 2-hydroxy-, 2-[bis(2-hydroxyethyl)amino]ethyl ester
058G76X4OV
DTXSID1065057
Benzoic acid, 2-hydroxy-, 2-(bis(2-hydroxyethyl)amino)ethyl ester
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
8
H-bond acceptors
6
H-bond donors
3
Molar refractivity
69
TPSA
90.23
LogP / Solubility
WLOGP
-0.16
MLOGP
-0.14
XLogP3
1.3
Consensus LogP
0.33
Log S (ESOL)
-1.11
Class (ESOL)
Soluble
Log S (Ali)
-1.65
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.23
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
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)
-4.48
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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![CAS 10378-06-0 (3aR,7aR)-5-(Acetoxymethyl)-2-Methyl-5,6,7,7A-Tetrahydro-3aH-Pyrano[3,2-D]Oxazole-6,7-Diyl Diacetate(WXC02555) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/10378-06-0.gif)
