CAS RN: 19250-03-4
(4-phenylphenyl)thiourea
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.20251003 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS19250-03-4
- Purity/Analytical Methods: >99.0%
19250-03-4 / (4-phenylphenyl)thiourea
Basic Information
CAS
19250-03-4
Multi CAS
No
Molecular Formula
C13H12N2S
Molecular Weight
228.310000
Exact Mass
228.072120
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)NC(=S)N
InChI
InChI=1S/C13H12N2S/c14-13(16)15-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,(H3,14,15,16)
InChIKey
ZBLBLYUALCIFDA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
2
Molar refractivity
72.29
TPSA
38.05
LogP / Solubility
WLOGP
3.01
MLOGP
2.65
XLogP3
2.4
Consensus LogP
2.69
Log S (ESOL)
-3.57
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.6
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.88
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)
-1.98
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
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