[email protected]
CAS 5445-30-7 1-N-BUTYLCYCLOHEXANOL molecular structure lightbox
CAS RN: 5445-30-7

1-N-BUTYLCYCLOHEXANOL

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260125 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS5445-30-7
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

5445-30-7 / 1-butylcyclohexan-1-ol

Standard CAS: 5445-30-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
5445-30-7
Multi CAS
No
Molecular Formula
C10H20O
Molecular Weight
156.260000
Exact Mass
156.151415
InChI
InChI=1S/C10H20O/c1-2-3-7-10(11)8-5-4-6-9-10/h11H,2-9H2,1H3
InChIKey
RCHLXMOXBJRGNX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
47.56
TPSA
20.23

LogP / Solubility

WLOGP
2.87
MLOGP
2.52
XLogP3
3
Consensus LogP
2.8
Log S (ESOL)
-2.42
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.91
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.42
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)
-1.63

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