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CAS 89160-04-3 Heneicosanoic acid, 21-hydroxy- molecular structure lightbox
CAS RN: 89160-04-3

Heneicosanoic acid, 21-hydroxy-

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250912 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS89160-04-3
  • Purity/Analytical Methods: >99.0%
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89160-04-3 / 21-hydroxyhenicosanoic acid

Standard CAS: 89160-04-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
89160-04-3
Multi CAS
No
Molecular Formula
C21H42O3
Molecular Weight
342.600000
Exact Mass
342.313395
InChI
InChI=1S/C21H42O3/c22-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21(23)24/h22H,1-20H2,(H,23,24)
InChIKey
NENJNFMRWQAPAC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Fraction Csp3
0.95
Rotatable bonds
20
H-bond acceptors
2
H-bond donors
2
Molar refractivity
102.44
TPSA
57.53

LogP / Solubility

WLOGP
6.48
MLOGP
5.72
XLogP3
6.9
Consensus LogP
6.37
Log S (ESOL)
-4.72
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.04
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.66
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.21

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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