CAS RN: 17672-21-8
METHYL 2-AMINO-3-HYDROXYBENZOATE
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: SSC-077344
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 5g, 0.1g, 0.25g, 10g, 25g, 1g
- Available purity: >97%
- Inventory rows with stock: 6
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | >97% | 5 In Stock | Shenzhen | Inquiry |
| 0.1g | >97% | 3 In Stock | Hong Kong | Inquiry |
| 0.25g | >97% | 3 In Stock | Beijing | Inquiry |
| 10g | >97% | 3 In Stock | Shanghai | Inquiry |
| 25g | >97% | 3 In Stock | Hong Kong | Inquiry |
| 1g | >97% | 2 In Stock | Shanghai | Inquiry |
17672-21-8 / methyl 2-amino-3-hydroxybenzoate
Basic Information
CAS
17672-21-8
Multi CAS
No
Molecular Formula
C8H9NO3
Molecular Weight
167.160000
Exact Mass
167.058243
SMILES
COC(=O)C1=C(C(=CC=C1)O)N
InChI
InChI=1S/C8H9NO3/c1-12-8(11)5-3-2-4-6(10)7(5)9/h2-4,10H,9H2,1H3
InChIKey
GDIJXOCHGFQHCT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
43.86
TPSA
72.55
LogP / Solubility
WLOGP
0.76
MLOGP
0.67
XLogP3
1.5
Consensus LogP
0.98
Log S (ESOL)
-1.66
Class (ESOL)
Soluble
Log S (Ali)
-1.48
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.5
Class (SILICOS-IT)
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)
-3.2
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
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