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CAS 1081-75-0 1,3-Diphenylpropane molecular structure lightbox
CAS RN: 1081-75-0

1,3-Diphenylpropane

  • Product code: SSC-009372
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 5g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1081-75-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Beijing Inquiry

1081-75-0 / 3-phenylpropylbenzene

1,3-Diphenylpropane | (3-Phenylpropyl)benzene | Propane, 1,3-diphenyl-

Standard CAS: 1081-75-0 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
1081-75-0
Multi CAS
No
Molecular Formula
C15H16
Molecular Weight
196.290000
Exact Mass
196.125201
SMILES
C1=CC=C(C=C1)CCCC2=CC=CC=C2
InChI
InChI=1S/C15H16/c1-3-8-14(9-4-1)12-7-13-15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2
InChIKey
VEAFKIYNHVBNIP-UHFFFAOYSA-N
Synonyms
1,3-Diphenylpropane (3-Phenylpropyl)benzene Propane, 1,3-diphenyl- Benzene, 1,1'-(1,3-propanediyl)bis- X3DIQ9W9PO

Physical Properties

Melting Point
6 °C
Physical Description
Liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
12
Fraction Csp3
0.2
Rotatable bonds
4
Molar refractivity
64.91
TPSA
0.0000

LogP / Solubility

WLOGP
3.86
MLOGP
3.4
XLogP3
3.4
Consensus LogP
3.55
Log S (ESOL)
-3.82
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.96
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.62
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.18

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)
Environmental Hazard
Signal
Warning
GHS Hazard Statements
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] H410 (100%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P273, P391, and P501

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