CAS RN: 61301-56-2

(E)-hexadec-11-en-1-ol

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250519 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS61301-56-2
  • Purity/Analytical Methods: >99.0%
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61301-56-2 / hexadec-11-en-1-ol

Standard CAS: 61301-56-2 Multi CAS: Yes

Basic Information

CAS
61301-56-2
Multi CAS
Yes
Molecular Formula
C16H32O
Molecular Weight
240.420000
Exact Mass
240.245316
InChI
InChI=1S/C16H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h5-6,17H,2-4,7-16H2,1H3/b6-5+
InChIKey
RHVMNRHQWXIJIS-AATRIKPKSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.88
Rotatable bonds
13
H-bond acceptors
1
H-bond donors
1
Molar refractivity
77.3
TPSA
20.23

LogP / Solubility

WLOGP
5.24
MLOGP
4.61
XLogP3
6.4
Consensus LogP
5.42
Log S (ESOL)
-3.77
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.31
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.13
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.47

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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