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CAS 4165-79-1 1,1-Diphenyl-3-buten-1-ol molecular structure lightbox
CAS RN: 4165-79-1

1,1-Diphenyl-3-buten-1-ol

  • Product code: SSC-150040
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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, 0.25g, 0.1g
  • 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 4165-79-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 5 In Stock Shenzhen Inquiry
0.25g ≥95% 2 In Stock Shanghai Inquiry
0.1g ≥95% 0 Out of Stock Shenzhen Inquiry

4165-79-1 / 1,1-diphenylbut-3-en-1-ol

Standard CAS: 4165-79-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
4165-79-1
Multi CAS
No
Molecular Formula
C16H16O
Molecular Weight
224.300000
Exact Mass
224.120115
InChI
InChI=1S/C16H16O/c1-2-13-16(17,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h2-12,17H,1,13H2
InChIKey
MCIWONLOVGQSQX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.12
Rotatable bonds
4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
70.7
TPSA
20.23

LogP / Solubility

WLOGP
3.5
MLOGP
3.08
XLogP3
3.7
Consensus LogP
3.43
Log S (ESOL)
-3.69
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.93
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.5
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.6

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
1.5

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