[email protected]
CAS 3730-60-7 2,5-Dimethyl-2-hexanol molecular structure lightbox
CAS RN: 3730-60-7

2,5-Dimethyl-2-hexanol

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260504 1ml / 5ml / 25ml Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: ICTD1968
  • Purity/Analytical Methods: >98.0%(GC)
GET A QUOTE

3730-60-7 / 2,5-dimethylhexan-2-ol

Standard CAS: 3730-60-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
3730-60-7
Multi CAS
No
Molecular Formula
C8H18O
Molecular Weight
130.230000
Exact Mass
130.135765
InChI
InChI=1S/C8H18O/c1-7(2)5-6-8(3,4)9/h7,9H,5-6H2,1-4H3
InChIKey
JPUIYNHIEXIFMV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
40.37
TPSA
20.23

LogP / Solubility

WLOGP
2.19
MLOGP
1.92
XLogP3
2.2
Consensus LogP
2.1
Log S (ESOL)
-1.83
Class (ESOL)
Soluble
Log S (Ali)
-2.21
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.69
Class (SILICOS-IT)
Moderately 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)
-1.96

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us