[email protected]
CAS 2719-52-0 2-PHENYLPENTANE molecular structure lightbox
CAS RN: 2719-52-0

2-PHENYLPENTANE

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260115 1g / 5g Confirm by inquiry Shandong Inquiry
  • Product code: starshine_CAS2719-52-0
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

2719-52-0 / pentan-2-ylbenzene

Standard CAS: 2719-52-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2719-52-0
Multi CAS
No
Molecular Formula
C11H16
Molecular Weight
148.240000
Exact Mass
148.125201
SMILES
CCCC(C)C1=CC=CC=C1
InChI
InChI=1S/C11H16/c1-3-7-10(2)11-8-5-4-6-9-11/h4-6,8-10H,3,7H2,1-2H3
InChIKey
LTHAIAJHDPJXLG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
3
Molar refractivity
49.77
TPSA
0.0000

LogP / Solubility

WLOGP
3.59
MLOGP
3.15
XLogP3
4.7
Consensus LogP
3.81
Log S (ESOL)
-3.23
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.37
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.96
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)
-1.08

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

Customers Also Viewed

Get In Touch

Contact Us