CAS RN: 2457-76-3
4-Amino-2-chlorobenzoic Acid
Product Availability
Choose a grade to view its available package options.
8 package records7 with current stock4 grade groups
- Product code: SSC-119348
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: 10g, 5g, 25g, 100g, 1000g
- Available purity: >97%
- Inventory rows with stock: 8
- 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 |
|---|---|---|---|---|
| 10g | -- | 5 In Stock | Shanghai | Inquiry |
| 10g | >97% | 5 In Stock | Shenzhen | Inquiry |
| 5g | -- | 4 In Stock | Beijing | Inquiry |
| 5g | >97% | 4 In Stock | Beijing | Inquiry |
| 25g | -- | 2 In Stock | Shenzhen | Inquiry |
| 25g | >97% | 2 In Stock | Beijing | Inquiry |
| 100g | -- | 1 In Stock | Beijing | Inquiry |
| 100g | >97% | 1 In Stock | Hong Kong | Inquiry |
| 1000g | -- | 0 Out of Stock | Hong Kong | Inquiry |
2457-76-3 / 4-amino-2-chlorobenzoic acid
Basic Information
CAS
2457-76-3
Multi CAS
No
Molecular Formula
C7H6ClNO2
Molecular Weight
171.580000
Exact Mass
171.008706
SMILES
C1=CC(=C(C=C1N)Cl)C(=O)O
InChI
InChI=1S/C7H6ClNO2/c8-6-3-4(9)1-2-5(6)7(10)11/h1-3H,9H2,(H,10,11)
InChIKey
MBDUKNCPOPMRJQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
42.82
TPSA
63.32
LogP / Solubility
WLOGP
1.62
MLOGP
1.42
XLogP3
1.5
Consensus LogP
1.51
Log S (ESOL)
-2.26
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.14
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.24
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)
-2.62
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
Customers Also Viewed
-
![CAS 13280-60-9 5-Amino-2-nitrobenzoic Acid (Purified) [for γ-GT] molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
5-Amino-2-nitrobenzoic Acid (Purified) [for γ-GT]
- CAS RN: 13280-60-9
- Product Code: SSC-039558
-
-
-
-
-
![CAS 13280-60-9 5-Amino-2-nitrobenzoic Acid (Purified) [for γ-GT] molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/a1048-jpgcontextbwfzdgvyfhjvb3r8mzu1mdf8aw1hz2uvanblz3xootuvada3lzg5mjgynza4mtexnjyvqtewndguanbnfdrhy2qwztvkntmxzdlkztk5mwuxnjlln2jhztjiodkwndyznmjkyzg1mdixmzk4yte1ogu5yzriodq2ogu2mmm.jpeg)
