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CAS 1183181-06-7 1-(2-Carboxycycloprop-1-yl)-3,5-dichlorobenzene, 1-Carboxy-2-(3,5-dichlorophenyl)cyclopropane molecular structure lightbox
CAS RN: 1183181-06-7

1-(2-Carboxycycloprop-1-yl)-3,5-dichlorobenzene, 1-Carboxy-2-(3,5-dichlorophenyl)cyclopropane

  • Product code: SSC-018102
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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: ＞97%
  • 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 1183181-06-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

1183181-06-7 / 2-(3,5-dichlorophenyl)cyclopropane-1-carboxylic acid

2-(3,5-Dichlorophenyl)cyclopropane-1-carboxylic acid | 2-(3,5-dichlorophenyl)cyclopropanecarboxylic acid | MFCD12149922

Standard CAS: 1183181-06-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1183181-06-7
Multi CAS
No
Molecular Formula
C10H8Cl2O2
Molecular Weight
231.070000
Exact Mass
229.990135
SMILES
C1C(C1C(=O)O)C2=CC(=CC(=C2)Cl)Cl
InChI
InChI=1S/C10H8Cl2O2/c11-6-1-5(2-7(12)3-6)8-4-9(8)10(13)14/h1-3,8-9H,4H2,(H,13,14)
InChIKey
IXQKEOPPCOTSSC-UHFFFAOYSA-N
Synonyms
2-(3,5-Dichlorophenyl)cyclopropane-1-carboxylic acid 2-(3,5-dichlorophenyl)cyclopropanecarboxylic acid MFCD12149922 SCHEMBL8150011 AKOS005217938

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
54.95
TPSA
37.3

LogP / Solubility

WLOGP
3.18
MLOGP
2.8
XLogP3
2.9
Consensus LogP
2.96
Log S (ESOL)
-3.46
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.75
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.04
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)
-1.87

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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