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CAS 105640-07-1 4-(4-Hydroxyphenyl)cyclohexanone molecular structure lightbox
CAS RN: 105640-07-1

4-(4-Hydroxyphenyl)cyclohexanone

  • Product code: SSC-007355
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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, 5g, 10g, 25g
  • Available purity: >97%
  • Inventory rows with stock: 1
  • 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 105640-07-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 4 In Stock Beijing Inquiry
5g >97% 0 Out of Stock Hong Kong Inquiry
10g >97% 0 Out of Stock Beijing Inquiry
25g >97% 0 Out of Stock Shenzhen Inquiry

105640-07-1 / 4-(4-hydroxyphenyl)cyclohexan-1-one

RefChem:513431 | 4-(4'-hydroxyphenyl)cyclohexanone | 4-(4-Hydroxyphenyl)cyclohexanone

Standard CAS: 105640-07-1 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
105640-07-1
Multi CAS
Yes
Molecular Formula
C12H14O2
Molecular Weight
190.240000
Exact Mass
190.099380
SMILES
C1CC(=O)CCC1C2=CC=C(C=C2)O
InChI
InChI=1S/C12H14O2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-2,5-6,10,13H,3-4,7-8H2
InChIKey
SLJYPZJZQIHNGU-UHFFFAOYSA-N
Synonyms
RefChem:513431 4-(4'-hydroxyphenyl)cyclohexanone 4-(4-Hydroxyphenyl)cyclohexanone 4-(4-hydroxyphenyl)cyclohexan-1-one MFCD00210693

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
54.32
TPSA
37.3

LogP / Solubility

WLOGP
2.62
MLOGP
2.3
XLogP3
1.8
Consensus LogP
2.24
Log S (ESOL)
-2.92
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.01
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.19
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)
-2.02

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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