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CAS RN: 1415559-64-6
1-(biphenyl-4-yl)-3-hexylthiourea
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.20250520 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1415559-64-6
- Purity/Analytical Methods: >99.0%
1415559-64-6 / 1-hexyl-3-(4-phenylphenyl)thiourea
Basic Information
CAS
1415559-64-6
Multi CAS
No
Molecular Formula
C19H24N2S
Molecular Weight
312.500000
Exact Mass
312.166020
SMILES
CCCCCCNC(=S)NC1=CC=C(C=C1)C2=CC=CC=C2
InChI
InChI=1S/C19H24N2S/c1-2-3-4-8-15-20-19(22)21-18-13-11-17(12-14-18)16-9-6-5-7-10-16/h5-7,9-14H,2-4,8,15H2,1H3,(H2,20,21,22)
InChIKey
JUEVILYSIWXGEZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.32
Rotatable bonds
7
H-bond acceptors
1
H-bond donors
2
Molar refractivity
100.24
TPSA
24.06
LogP / Solubility
WLOGP
5.22
MLOGP
4.61
XLogP3
5.5
Consensus LogP
5.11
Log S (ESOL)
-5.01
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.89
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.86
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.92
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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