CAS RN: 35708-19-1
2-Anilinobenzoic acid methyl ester
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
- Product code: SSC-142753
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, 10g, 0.1g, 0.25g, 1g
- Available purity: ≥98%
- Inventory rows with stock: 2
- 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 | ≥98% | 1 In Stock | Hong Kong | Inquiry |
| 10g | ≥98% | 1 In Stock | Shenzhen | Inquiry |
| 0.1g | ≥98% | 0 Out of Stock | Hong Kong | Inquiry |
| 0.25g | ≥98% | 0 Out of Stock | Hong Kong | Inquiry |
| 1g | ≥98% | 0 Out of Stock | Shenzhen | Inquiry |
35708-19-1 / methyl 2-anilinobenzoate
Basic Information
CAS
35708-19-1
Multi CAS
No
Molecular Formula
C14H13NO2
Molecular Weight
227.260000
Exact Mass
227.094629
InChI
InChI=1S/C14H13NO2/c1-17-14(16)12-9-5-6-10-13(12)15-11-7-3-2-4-8-11/h2-10,15H,1H3
InChIKey
ODDHBYXHXZCAGQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
67.51
TPSA
38.33
LogP / Solubility
WLOGP
3.22
MLOGP
2.83
XLogP3
4.7
Consensus LogP
3.58
Log S (ESOL)
-3.6
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.75
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.17
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.82
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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