CAS RN: 37777-68-7
4-Chloro-3-nitrophenylacetic Acid
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: SSC-145210
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: 25g, 5g, 100g, 10g, 1g, 1000g
- Available purity: >97%
- Inventory rows with stock: 7
- 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 |
|---|---|---|---|---|
| 25g | -- | 4 In Stock | Shenzhen | Inquiry |
| 25g | >97% | 4 In Stock | Beijing | Inquiry |
| 5g | -- | 2 In Stock | Beijing | Inquiry |
| 5g | >97% | 2 In Stock | Shenzhen | Inquiry |
| 100g | -- | 2 In Stock | Hong Kong | Inquiry |
| 100g | >97% | 2 In Stock | Shanghai | Inquiry |
| 10g | >97% | 1 In Stock | Shenzhen | Inquiry |
| 1g | -- | 0 Out of Stock | Beijing | Inquiry |
| 1g | >97% | 0 Out of Stock | Shanghai | Inquiry |
| 10g | -- | 0 Out of Stock | Shanghai | Inquiry |
| 1000g | -- | 0 Out of Stock | Shenzhen | Inquiry |
37777-68-7 / 2-(4-chloro-3-nitrophenyl)acetic acid
Basic Information
CAS
37777-68-7
Multi CAS
No
Molecular Formula
C8H6CLNO4
Molecular Weight
215.590000
Exact Mass
214.998535
InChI
InChI=1S/C8H6ClNO4/c9-6-2-1-5(4-8(11)12)3-7(6)10(13)14/h1-3H,4H2,(H,11,12)
InChIKey
WUXCECMNMNJYSC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
49.45
TPSA
80.44
LogP / Solubility
WLOGP
1.88
MLOGP
1.65
XLogP3
1.8
Consensus LogP
1.78
Log S (ESOL)
-2.48
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.68
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.98
Class (SILICOS-IT)
Moderately 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)
-2.7
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
