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CAS 1415564-41-8 1-(biphenyl-4-yl)-3-(cyclohexylMethyl)thiourea molecular structure lightbox
CAS RN: 1415564-41-8

1-(biphenyl-4-yl)-3-(cyclohexylMethyl)thiourea

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250628 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1415564-41-8
  • Purity/Analytical Methods: >99.0%
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1415564-41-8 / 1-(cyclohexylmethyl)-3-(4-phenylphenyl)thiourea

Standard CAS: 1415564-41-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1415564-41-8
Multi CAS
No
Molecular Formula
C20H24N2S
Molecular Weight
324.500000
Exact Mass
324.166020
SMILES
C1CCC(CC1)CNC(=S)NC2=CC=C(C=C2)C3=CC=CC=C3
InChI
InChI=1S/C20H24N2S/c23-20(21-15-16-7-3-1-4-8-16)22-19-13-11-18(12-14-19)17-9-5-2-6-10-17/h2,5-6,9-14,16H,1,3-4,7-8,15H2,(H2,21,22,23)
InChIKey
XNJUGGCQTHAYEZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.35
Rotatable bonds
4
H-bond acceptors
1
H-bond donors
2
Molar refractivity
102.68
TPSA
24.06

LogP / Solubility

WLOGP
5.22
MLOGP
4.61
XLogP3
5.5
Consensus LogP
5.11
Log S (ESOL)
-5.26
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.99
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.58
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)
-0.99

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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