CAS RN: 206761-84-4
3-PHENOXYBENZHYDRAZIDE
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.20250506 | 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS206761-84-4
- Purity/Analytical Methods: >99.0%
206761-84-4 / 3-phenoxybenzohydrazide
Basic Information
CAS
206761-84-4
Multi CAS
No
Molecular Formula
C13H12N2O2
Molecular Weight
228.250000
Exact Mass
228.089878
SMILES
C1=CC=C(C=C1)OC2=CC=CC(=C2)C(=O)NN
InChI
InChI=1S/C13H12N2O2/c14-15-13(16)10-5-4-8-12(9-10)17-11-6-2-1-3-7-11/h1-9H,14H2,(H,15,16)
InChIKey
AZEXBWWYRSXTTN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
64.61
TPSA
64.35
LogP / Solubility
WLOGP
2.08
MLOGP
1.84
XLogP3
2
Consensus LogP
1.97
Log S (ESOL)
-2.89
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.94
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.23
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.63
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
Customers Also Viewed
-
-
4-[4-(TRIFLUOROMETHYL)PHENYL]-3-THIOSEMICARBAZIDE
- CAS RN: 206761-90-2
- Product Code: starshine_CAS206761-90-2
- Purity/Analytical method: >99.0%
-
-
-
-
![CAS 206761-90-2 4-[4-(TRIFLUOROMETHYL)PHENYL]-3-THIOSEMICARBAZIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/206761-90-2.gif)
