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CAS 21545-54-0 1-CYCLOHEXYL-3-(2-MORPHOLINOETHYL)THIOUREA molecular structure lightbox
CAS RN: 21545-54-0

1-CYCLOHEXYL-3-(2-MORPHOLINOETHYL)THIOUREA

Product Availability

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3 package records2 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260418 1g / 5g / 25g / 100g Confirm by inquiry Shanghai 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250102 1g Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251129 1g / 5g / 25g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: starshine_CAS21545-54-0
  • Purity/Analytical Methods: >99.0%
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21545-54-0 / 1-cyclohexyl-3-(2-morpholin-4-ylethyl)thiourea

Standard CAS: 21545-54-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
21545-54-0
Multi CAS
No
Molecular Formula
C13H25N3OS
Molecular Weight
271.420000
Exact Mass
271.171834
SMILES
C1CCC(CC1)NC(=S)NCCN2CCOCC2
InChI
InChI=1S/C13H25N3OS/c18-13(15-12-4-2-1-3-5-12)14-6-7-16-8-10-17-11-9-16/h12H,1-11H2,(H2,14,15,18)
InChIKey
AKYYGBUVZFGJNI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.92
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
77.87
TPSA
36.53

LogP / Solubility

WLOGP
1.12
MLOGP
0.99
XLogP3
1.4
Consensus LogP
1.17
Log S (ESOL)
-1.96
Class (ESOL)
Soluble
Log S (Ali)
-2.59
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.83
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.58

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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