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CAS 505-32-8 Isophytol molecular structure lightbox
CAS RN: 505-32-8

Isophytol

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7 package records7 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251031 1ml / 5ml / 25ml / 100ml / 500ml Confirm by inquiry Shanghai, Shandong, Guangdong Inquiry
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Batchno.20250726 1ml / 5ml / 25ml Confirm by inquiry Shanghai Inquiry
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Batchno.20250627 100g In stock Shanghai, Chengdu Inquiry
Batchno.20260610 1kg In stock Shanghai Inquiry
Batchno.20260405 25g In stock Shanghai, Shenzhen, Chengdu Inquiry
Batchno.20260410 500g In stock Shanghai, Tianjin Inquiry
Batchno.20250125 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: ICTI0145
  • Purity/Analytical Methods: >95.0%(GC)
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505-32-8 / 3,7,11,15-tetramethylhexadec-1-en-3-ol

Standard CAS: 505-32-8 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
505-32-8
Multi CAS
No
Molecular Formula
C20H40O
Molecular Weight
296.500000
Exact Mass
296.307916
InChI
InChI=1S/C20H40O/c1-7-20(6,21)16-10-15-19(5)14-9-13-18(4)12-8-11-17(2)3/h7,17-19,21H,1,8-16H2,2-6H3
InChIKey
KEVYVLWNCKMXJX-UHFFFAOYSA-N

Physical Properties

Boiling Point
107-110 °C at 0.01 mm Hg; 125-128 °C at 0.06 mm Hg
Density
0.8519 at 20 °C/4 °C
Physical Description
Oily liquid; [Merck Index]
Appearance
Oily liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
21
Fraction Csp3
0.9
Rotatable bonds
13
H-bond acceptors
1
H-bond donors
1
Molar refractivity
95.54
TPSA
20.23

LogP / Solubility

WLOGP
6.36
MLOGP
5.61
XLogP3
7.8
Consensus LogP
6.59
Log S (ESOL)
-4.83
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.59
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.43
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.01

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

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