CAS RN: 51865-84-0
N-Formyl-4-(methylamino)benzoic acid
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250916 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS51865-84-0
- Purity/Analytical Methods: >99.0%
51865-84-0 / 4-[formyl(methyl)amino]benzoic acid
Basic Information
CAS
51865-84-0
Multi CAS
Yes
Molecular Formula
C9H9NO3
Molecular Weight
179.170000
Exact Mass
179.058243
InChI
InChI=1S/C9H9NO3/c1-10(6-11)8-4-2-7(3-5-8)9(12)13/h2-6H,1H3,(H,12,13)
InChIKey
WEMYEQBKRODOGB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.11
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
47.87
TPSA
57.61
LogP / Solubility
WLOGP
0.98
MLOGP
0.86
XLogP3
0.6
Consensus LogP
0.81
Log S (ESOL)
-1.71
Class (ESOL)
Soluble
Log S (Ali)
-1.73
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2
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)
-3.12
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
-
-
-
-
9-methylstreptimidone
- CAS RN: 51867-94-8
- Product Code: starshine_CAS51867-94-8
- Purity/Analytical method: >99.0%
-
1-BENZO[B]THIOPHEN-2-YL-ETHANOL
- CAS RN: 51868-95-2
- Product Code: starshine_CAS51868-95-2
- Purity/Analytical method: >99.0%
-
![CAS 51868-95-2 1-BENZO[B]THIOPHEN-2-YL-ETHANOL molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/51868-95-2.gif)
