CAS RN: 35305-48-7
1-(4-METHYLBENZYL)-3-PHENYL-2-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.20250522 | 1mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS35305-48-7
- Purity/Analytical Methods: >99.0%
35305-48-7 / 1-[(4-methylphenyl)methyl]-3-phenylthiourea
Basic Information
CAS
35305-48-7
Multi CAS
No
Molecular Formula
C15H16N2S
Molecular Weight
256.400000
Exact Mass
256.103420
InChI
InChI=1S/C15H16N2S/c1-12-7-9-13(10-8-12)11-16-15(18)17-14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H2,16,17,18)
InChIKey
YDKMUNICSUMECU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.13
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
2
Molar refractivity
80.68
TPSA
24.06
LogP / Solubility
WLOGP
3.48
MLOGP
3.07
XLogP3
3.4
Consensus LogP
3.32
Log S (ESOL)
-3.92
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.18
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.58
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.81
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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