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CAS 1249457-49-5 1-[(2-CHLOROPHENYL)METHYL]CYCLOPROPAN-1-OL molecular structure lightbox
CAS RN: 1249457-49-5

1-[(2-CHLOROPHENYL)METHYL]CYCLOPROPAN-1-OL

  • Product code: SSC-029316
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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: 1g, 0.1g, 0.25g, 5g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • 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 1249457-49-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 3 In Stock Beijing Inquiry
0.1g >95% 2 In Stock Hong Kong Inquiry
0.25g >95% 2 In Stock Beijing Inquiry
5g >95% 2 In Stock Hong Kong Inquiry

1249457-49-5 / 1-[(2-chlorophenyl)methyl]cyclopropan-1-ol

Standard CAS: 1249457-49-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1249457-49-5
Multi CAS
No
Molecular Formula
C10H11ClO
Molecular Weight
182.640000
Exact Mass
182.049843
SMILES
C1CC1(CC2=CC=CC=C2Cl)O
InChI
InChI=1S/C10H11ClO/c11-9-4-2-1-3-8(9)7-10(12)5-6-10/h1-4,12H,5-7H2
InChIKey
JOMBPAPLJYFZQS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
49.34
TPSA
20.23

LogP / Solubility

WLOGP
2.41
MLOGP
2.12
XLogP3
2.5
Consensus LogP
2.34
Log S (ESOL)
-2.73
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.8
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.09
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)
-2.12

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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