CAS RN: 4920-81-4
2-Amino-3-hydroxybenzoic Acid Hydrochloride
Product Availability
Choose a grade to view its available package options.
3 package records2 with current stock1 grade group
- Product code: ICTH0495
- Purity/Analytical Methods: >98.0%(T)(HPLC)
4920-81-4 / 2-amino-3-hydroxybenzoic acid;hydrochloride
Basic Information
CAS
4920-81-4
Multi CAS
Yes
Molecular Formula
C7H8CLNO3
Molecular Weight
189.590000
Exact Mass
189.019271
InChI
InChI=1S/C7H7NO3.ClH/c8-6-4(7(10)11)2-1-3-5(6)9;/h1-3,9H,8H2,(H,10,11);1H
InChIKey
WORPVBBWRKRSHQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
3
Molar refractivity
46.73
TPSA
83.55
LogP / Solubility
WLOGP
1.09
MLOGP
0.96
XLogP3
1.09
Consensus LogP
1.05
Log S (ESOL)
-2.01
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.9
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.92
Class (SILICOS-IT)
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)
-3.1
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
