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CAS 151157-50-5 1-(2,4-dichlorophenyl)cyclobutane-1-carboxylic acid molecular structure lightbox
CAS RN: 151157-50-5

1-(2,4-dichlorophenyl)cyclobutane-1-carboxylic acid

  • Product code: SSC-061047
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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: 1g
  • 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 151157-50-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

151157-50-5 / 1-(2,4-dichlorophenyl)cyclobutane-1-carboxylic acid

Standard CAS: 151157-50-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
151157-50-5
Multi CAS
No
Molecular Formula
C11H10Cl2O2
Molecular Weight
245.100000
Exact Mass
244.005785
SMILES
C1CC(C1)(C2=C(C=C(C=C2)Cl)Cl)C(=O)O
InChI
InChI=1S/C11H10Cl2O2/c12-7-2-3-8(9(13)6-7)11(10(14)15)4-1-5-11/h2-3,6H,1,4-5H2,(H,14,15)
InChIKey
WTPHLOSEZLUICF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
59.63
TPSA
37.3

LogP / Solubility

WLOGP
3.5
MLOGP
3.09
XLogP3
3.5
Consensus LogP
3.36
Log S (ESOL)
-3.73
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.1
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.4
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)
-1.73

Drug-likeness / Medicinal Chemistry

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

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