[email protected]
CAS 288161-81-9 2-AMINO-2-BUTYLHEXANOL molecular structure lightbox
CAS RN: 288161-81-9

2-AMINO-2-BUTYLHEXANOL

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260524 1g / 5g / 25g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS288161-81-9
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

288161-81-9 / 2-amino-2-butylhexan-1-ol

Standard CAS: 288161-81-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
288161-81-9
Multi CAS
No
Molecular Formula
C10H23NO
Molecular Weight
173.300000
Exact Mass
173.177964
InChI
InChI=1S/C10H23NO/c1-3-5-7-10(11,9-12)8-6-4-2/h12H,3-9,11H2,1-2H3
InChIKey
RDEFHGRTIKHVTK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
7
H-bond acceptors
2
H-bond donors
2
Molar refractivity
53.05
TPSA
46.25

LogP / Solubility

WLOGP
2.06
MLOGP
1.81
XLogP3
2.1
Consensus LogP
1.99
Log S (ESOL)
-1.75
Class (ESOL)
Soluble
Log S (Ali)
-2.47
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.33
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)
-2.32

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