CAS RN: 4481-28-1
3-CARBOXAMIDOBENZOIC ACID
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock1 grade group
- Product code: SSC-152771
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: 1g, 0.1g, 0.25g, 5g, 10g
- Available purity: ≥95%
- Inventory rows with stock: 5
- 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 |
|---|---|---|---|---|
| 1g | ≥95% | 4 In Stock | Beijing | Inquiry |
| 0.1g | ≥95% | 3 In Stock | Shanghai | Inquiry |
| 0.25g | ≥95% | 2 In Stock | Beijing | Inquiry |
| 5g | ≥95% | 2 In Stock | Shanghai | Inquiry |
| 10g | ≥95% | 2 In Stock | Shenzhen | Inquiry |
4481-28-1 / 3-carbamoylbenzoic acid
Basic Information
CAS
4481-28-1
Multi CAS
No
Molecular Formula
C8H7NO3
Molecular Weight
165.150000
Exact Mass
165.042593
InChI
InChI=1S/C8H7NO3/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H2,9,10)(H,11,12)
InChIKey
FVUKYCZRWSQGAS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
41.92
TPSA
80.39
LogP / Solubility
WLOGP
0.48
MLOGP
0.42
XLogP3
1
Consensus LogP
0.63
Log S (ESOL)
-1.41
Class (ESOL)
Soluble
Log S (Ali)
-1.26
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.37
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)
-3.38
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
![CAS 4483-67-4 Spiro[3.3]Heptan-2-ylmethanol molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
-
[3,4,5-trihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-oxan-2-yl]methoxyphosphonic acid
- CAS RN: 4484-88-2
- Product Code: starshine_CAS4484-88-2
- Purity/Analytical method: >99.0%
-
-
-
-
![CAS 4483-67-4 Spiro[3.3]Heptan-2-ylmethanol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/4483-67-4.gif)
![CAS 4484-88-2 [3,4,5-trihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-oxan-2-yl]methoxyphosphonic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/4484-88-2.gif)
