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CAS 112256-09-4 1-Cyclopentyl-2-propyn-1-ol molecular structure lightbox
CAS RN: 112256-09-4

1-Cyclopentyl-2-propyn-1-ol

  • Product code: SSC-012716
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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, 5g
  • Available purity: >95%
  • Inventory rows with stock: 8
  • 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 112256-09-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g -- 5 In Stock Hong Kong Inquiry
0.1g >95% 5 In Stock Beijing Inquiry
0.25g -- 5 In Stock Shenzhen Inquiry
0.25g >95% 5 In Stock Shenzhen Inquiry
1g -- 2 In Stock Shanghai Inquiry
1g >95% 2 In Stock Shanghai Inquiry
5g -- 2 In Stock Shanghai Inquiry
5g >95% 2 In Stock Shenzhen Inquiry

112256-09-4 / 1-cyclopentylprop-2-yn-1-ol

1-Cyclopentyl-2-propyn-1-ol | 1-cyclopentylprop-2-yn-1-ol | MFCD21143284

Standard CAS: 112256-09-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
112256-09-4
Multi CAS
No
Molecular Formula
C8H12O
Molecular Weight
124.180000
Exact Mass
124.088815
SMILES
C#CC(C1CCCC1)O
InChI
InChI=1S/C8H12O/c1-2-8(9)7-5-3-4-6-7/h1,7-9H,3-6H2
InChIKey
QQZRRDODGAIGQY-UHFFFAOYSA-N
Synonyms
1-Cyclopentyl-2-propyn-1-ol 1-cyclopentylprop-2-yn-1-ol MFCD21143284 Cyclopentanemethanol, a-ethynyl- Cyclopentanemethanol, alpha-ethynyl-

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.75
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
36.8
TPSA
20.23

LogP / Solubility

WLOGP
1.17
MLOGP
1.02
XLogP3
1.5
Consensus LogP
1.23
Log S (ESOL)
-1.28
Class (ESOL)
Soluble
Log S (Ali)
-1.42
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.56
Class (SILICOS-IT)
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)
-2.65

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
2

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