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CAS 722-03-2 1-CYCLOHEXYL-3-PHENYL-2-THIOUREA molecular structure lightbox
CAS RN: 722-03-2

1-CYCLOHEXYL-3-PHENYL-2-THIOUREA

  • Product code: SSC-181753
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 25g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 722-03-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Beijing Inquiry

722-03-2 / 1-cyclohexyl-3-phenylthiourea

Standard CAS: 722-03-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
722-03-2
Multi CAS
Yes
Molecular Formula
C13H18N2S
Molecular Weight
234.360000
Exact Mass
234.119070
InChI
InChI=1S/C13H18N2S/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2,(H2,14,15,16)
InChIKey
PASBFQMDQRGJBH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
2
Molar refractivity
72.67
TPSA
24.06

LogP / Solubility

WLOGP
3.31
MLOGP
2.91
XLogP3
3.5
Consensus LogP
3.24
Log S (ESOL)
-3.52
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.87
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.17
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.8

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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