[email protected]
CAS 51655-56-2 3-BUTYL-1-HEPTANOL molecular structure lightbox
CAS RN: 51655-56-2

3-BUTYL-1-HEPTANOL

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251226 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS51655-56-2
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

51655-56-2 / 6-methyldecan-5-ol

Standard CAS: 51655-56-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
51655-56-2
Multi CAS
Yes
Molecular Formula
C11H24O
Molecular Weight
172.310000
Exact Mass
172.182715
InChI
InChI=1S/C11H24O/c1-3-5-7-11(9-10-12)8-6-4-2/h11-12H,3-10H2,1-2H3
InChIKey
JVZDVHQHXNGWRQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
7
H-bond acceptors
1
H-bond donors
1
Molar refractivity
54.22
TPSA
20.23

LogP / Solubility

WLOGP
3.36
MLOGP
2.96
XLogP3
4.2
Consensus LogP
3.51
Log S (ESOL)
-2.57
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.4
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.41
Class (SILICOS-IT)
Slightly 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)
-1.38

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

Customers Also Viewed

Get In Touch

Contact Us