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CAS 17773-30-7 rac-3-Hydroxyoctadecanoic Acid molecular structure lightbox
CAS RN: 17773-30-7

rac-3-Hydroxyoctadecanoic Acid

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260610 100mg / 250mg / 1g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: starshine_CAS17773-30-7
  • Purity/Analytical Methods: >99.0%
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17773-30-7 / 3-hydroxyoctadecanoic acid

Standard CAS: 17773-30-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
17773-30-7
Multi CAS
No
Molecular Formula
C18H36O3
Molecular Weight
300.500000
Exact Mass
300.266445
SMILES
CCCCCCCCCCCCCCCC(CC(=O)O)O
InChI
InChI=1S/C18H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(19)16-18(20)21/h17,19H,2-16H2,1H3,(H,20,21)
InChIKey
POMQYTSPMKEQNB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Fraction Csp3
0.94
Rotatable bonds
16
H-bond acceptors
2
H-bond donors
2
Molar refractivity
88.57
TPSA
57.53

LogP / Solubility

WLOGP
5.3
MLOGP
4.68
XLogP3
6.9
Consensus LogP
5.63
Log S (ESOL)
-3.99
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.85
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.93
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
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)
-0.79

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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