CAS RN: 113210-35-8
Methyl 2-((4-hydroxyphenyl)aMino)acetate hydrochloride
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250426 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai | 8-10 business days | Inquiry |
- Product code: starshine_CAS113210-35-8
- Purity/Analytical Methods: >99.0%
113210-35-8 / methyl 2-(4-hydroxyanilino)acetate;hydrochloride
Methyl 2-((4-hydroxyphenyl)amino)acetate hydrochloride | Methyl 2-(4-hydroxyanilino)acetate;hydrochloride | methyl (4-hydroxyphenyl)glycinate hydrochloride
Basic Information
CAS
113210-35-8
Multi CAS
No
Molecular Formula
C9H12ClNO3
Molecular Weight
217.650000
Exact Mass
217.050571
SMILES
COC(=O)CNC1=CC=C(C=C1)O.Cl
InChI
InChI=1S/C9H11NO3.ClH/c1-13-9(12)6-10-7-2-4-8(11)5-3-7;/h2-5,10-11H,6H2,1H3;1H
InChIKey
VIGOGDYKHZFWFS-UHFFFAOYSA-N
Synonyms
Methyl 2-((4-hydroxyphenyl)amino)acetate hydrochloride
Methyl 2-(4-hydroxyanilino)acetate;hydrochloride
methyl (4-hydroxyphenyl)glycinate hydrochloride
MFCD22421599
METHYL 2-[(4-HYDROXYPHENYL)AMINO]ACETATE HYDROCHLORIDE
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
55.86
TPSA
58.56
LogP / Solubility
WLOGP
1.4
MLOGP
1.23
XLogP3
1.4
Consensus LogP
1.34
Log S (ESOL)
-2.19
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.35
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.6
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)
-3.05
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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