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CAS 88109-73-3 9-HEXADECYN-1-OL molecular structure lightbox
CAS RN: 88109-73-3

9-HEXADECYN-1-OL

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250630 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS88109-73-3
  • Purity/Analytical Methods: >99.0%
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88109-73-3 / hexadec-9-yn-1-ol

Standard CAS: 88109-73-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
88109-73-3
Multi CAS
No
Molecular Formula
C16H30O
Molecular Weight
238.410000
Exact Mass
238.229666
InChI
InChI=1S/C16H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-6,9-16H2,1H3
InChIKey
BBJUQSUKHMQMSH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.88
Rotatable bonds
11
H-bond acceptors
1
H-bond donors
1
Molar refractivity
75.94
TPSA
20.23

LogP / Solubility

WLOGP
4.68
MLOGP
4.13
XLogP3
6.9
Consensus LogP
5.24
Log S (ESOL)
-3.54
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.9
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.42
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)
-0.85

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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