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CAS 16467-50-8 1-(2-CHLORO-ACETYL)-3-CYCLOHEXYL-UREA molecular structure lightbox
CAS RN: 16467-50-8

1-(2-CHLORO-ACETYL)-3-CYCLOHEXYL-UREA

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Batchno.20250530 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS16467-50-8
  • Purity/Analytical Methods: >99.0%
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16467-50-8 / 2-chloro-N-(cyclohexylcarbamoyl)acetamide

Standard CAS: 16467-50-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
16467-50-8
Multi CAS
No
Molecular Formula
C9H15ClN2O2
Molecular Weight
218.680000
Exact Mass
218.082205
SMILES
C1CCC(CC1)NC(=O)NC(=O)CCl
InChI
InChI=1S/C9H15ClN2O2/c10-6-8(13)12-9(14)11-7-4-2-1-3-5-7/h7H,1-6H2,(H2,11,12,13,14)
InChIKey
AJYLCYFEYRUYOG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.78
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
54.27
TPSA
58.2

LogP / Solubility

WLOGP
1.38
MLOGP
1.22
XLogP3
2.1
Consensus LogP
1.57
Log S (ESOL)
-1.94
Class (ESOL)
Soluble
Log S (Ali)
-2.35
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.47
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.07

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

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501

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