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CAS 20023-50-1 Cyclopentanecarbonyl chloride, 1-methyl- (8CI,9CI) molecular structure lightbox
CAS RN: 20023-50-1

Cyclopentanecarbonyl chloride, 1-methyl- (8CI,9CI)

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Batchno.20250320 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS20023-50-1
  • Purity/Analytical Methods: >99.0%
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20023-50-1 / 1-methylcyclopentane-1-carbonyl chloride

Standard CAS: 20023-50-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
20023-50-1
Multi CAS
No
Molecular Formula
C7H11ClO
Molecular Weight
146.610000
Exact Mass
146.049843
SMILES
CC1(CCCC1)C(=O)Cl
InChI
InChI=1S/C7H11ClO/c1-7(6(8)9)4-2-3-5-7/h2-5H2,1H3
InChIKey
NECUSOPHCDZPGU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.86
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
37.44
TPSA
17.07

LogP / Solubility

WLOGP
2.33
MLOGP
2.05
XLogP3
2.7
Consensus LogP
2.36
Log S (ESOL)
-2.15
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.45
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.67
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)
-1.96

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H227 (100%): Combustible liquid [Warning Flammable liquids] H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P210, P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P362+P364, P363, P370+P378, P403, P403+P233, P405, and P501

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