![CAS 769132-75-4 4-[(2-HYDROXY-ETHYL)-METHYL-AMINO]-BENZOIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/769132-75-4.gif)
CAS RN: 769132-75-4
4-[(2-HYDROXY-ETHYL)-METHYL-AMINO]-BENZOIC ACID
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.20250927 | 1g / 5g / 10g / 25g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS769132-75-4
- Purity/Analytical Methods: >99.0%
769132-75-4 / 4-[2-hydroxyethyl(methyl)amino]benzoic acid
Basic Information
CAS
769132-75-4
Multi CAS
No
Molecular Formula
C10H13NO3
Molecular Weight
195.210000
Exact Mass
195.089543
InChI
InChI=1S/C10H13NO3/c1-11(6-7-12)9-4-2-8(3-5-9)10(13)14/h2-5,12H,6-7H2,1H3,(H,13,14)
InChIKey
WNUGWSVNXGNCTB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
53.76
TPSA
60.77
LogP / Solubility
WLOGP
0.81
MLOGP
0.72
XLogP3
0.9
Consensus LogP
0.81
Log S (ESOL)
-1.62
Class (ESOL)
Soluble
Log S (Ali)
-1.75
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.08
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.33
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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![CAS 769167-53-5 (1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-3-one Methanesulfonate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/769167-53-5.gif)