[email protected]
CAS 623-55-2 5-METHYL-3-HEXANOL molecular structure lightbox
CAS RN: 623-55-2

5-METHYL-3-HEXANOL

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250101 50mg / 250mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS623-55-2
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

623-55-2 / 5-methylhexan-3-ol

Standard CAS: 623-55-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
623-55-2
Multi CAS
No
Molecular Formula
C7H16O
Molecular Weight
116.200000
Exact Mass
116.120115
InChI
InChI=1S/C7H16O/c1-4-7(8)5-6(2)3/h6-8H,4-5H2,1-3H3
InChIKey
RGCZULIFYUPTAR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
35.75
TPSA
20.23

LogP / Solubility

WLOGP
1.8
MLOGP
1.58
XLogP3
2.2
Consensus LogP
1.86
Log S (ESOL)
-1.5
Class (ESOL)
Soluble
Log S (Ali)
-1.81
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.27
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)
-2.15

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