![CAS 1083360-04-6 Benzoic acid, (2E)-2-[(2,3,4-trihydroxyphenyl)methylene]hydrazide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1083360-04-6.gif)
CAS RN: 1083360-04-6
Benzoic acid, (2E)-2-[(2,3,4-trihydroxyphenyl)methylene]hydrazide
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250426 | 100mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1083360-04-6
- Purity/Analytical Methods: >99.0%
1083360-04-6 / N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]benzamide
(E)-N'-(2,3,4-Trihydroxybenzylidene)benzohydrazide | CHEMBL481666 | INP-0401
Basic Information
CAS
1083360-04-6
Multi CAS
Yes
Molecular Formula
C14H12N2O4
Molecular Weight
272.260000
Exact Mass
272.079707
SMILES
C1=CC=C(C=C1)C(=O)N/N=C/C2=C(C(=C(C=C2)O)O)O
InChI
InChI=1S/C14H12N2O4/c17-11-7-6-10(12(18)13(11)19)8-15-16-14(20)9-4-2-1-3-5-9/h1-8,17-19H,(H,16,20)/b15-8+
InChIKey
QRHZWNUTPGHNKT-OVCLIPMQSA-N
Synonyms
(E)-N'-(2,3,4-Trihydroxybenzylidene)benzohydrazide
CHEMBL481666
INP-0401
N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]benzamide
UM 0125795
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
4
Molar refractivity
72.94
TPSA
102.15
LogP / Solubility
WLOGP
1.57
MLOGP
1.39
XLogP3
1.8
Consensus LogP
1.59
Log S (ESOL)
-2.76
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.92
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.09
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.27
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
-
2- (3-bromophenyl) dibenzofuran
- CAS RN: 1084334-27-9
- Product Code: starshine_CAS1084334-27-9
- Purity/Analytical method: >99.0%
-
-
2-(4-bromobiphenyl) dibenzofuran
- CAS RN: 1084334-69-9
- Product Code: starshine_CAS1084334-69-9
- Purity/Analytical method: >99.0%
-
B-[4-([1,1′-Biphenyl]-4-ylphenylaMino)phenyl]boronic acid
- CAS RN: 1084334-86-0
- Product Code: starshine_CAS1084334-86-0
- Purity/Analytical method: >99.0%
![CAS 1084334-86-0 B-[4-([1,1′-Biphenyl]-4-ylphenylaMino)phenyl]boronic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1084334-86-0.gif)