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CAS 1182960-42-4 3-(2-Chlorophenyl)cyclobutanol molecular structure lightbox
CAS RN: 1182960-42-4

3-(2-Chlorophenyl)cyclobutanol

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260505 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-018081
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1182960-42-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 2 In Stock Hong Kong Inquiry
0.25g ≥95% 2 In Stock Shenzhen Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1182960-42-4 / 3-(2-chlorophenyl)cyclobutan-1-ol

3-(2-Chlorophenyl)cyclobutanol | 3-(2-chlorophenyl)cyclobutan-1-ol | MFCD12152561

Standard CAS: 1182960-42-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1182960-42-4
Multi CAS
No
Molecular Formula
C10H11ClO
Molecular Weight
182.640000
Exact Mass
182.049843
SMILES
C1C(CC1O)C2=CC=CC=C2Cl
InChI
InChI=1S/C10H11ClO/c11-10-4-2-1-3-9(10)7-5-8(12)6-7/h1-4,7-8,12H,5-6H2
InChIKey
AOYXOTUEOXFQIV-UHFFFAOYSA-N
Synonyms
3-(2-Chlorophenyl)cyclobutanol 3-(2-chlorophenyl)cyclobutan-1-ol MFCD12152561 Rel-(1s,3s)-3-(2-chlorophenyl)cyclobutan-1-ol rel-(1s,3s)-3-(2-chlorophenyl)cyclobutan-1-ol, cis

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
49.43
TPSA
20.23

LogP / Solubility

WLOGP
2.58
MLOGP
2.27
XLogP3
2.5
Consensus LogP
2.45
Log S (ESOL)
-2.9
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.92
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.11
Class (SILICOS-IT)
Poorly 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)
-2

Drug-likeness / Medicinal Chemistry

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

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