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CAS 82200-87-1 5(S), 15(S)-DIHETE molecular structure lightbox
CAS RN: 82200-87-1

5(S), 15(S)-DIHETE

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4 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250507 100μg In stock Inquiry
Batchno.20251001 25μg Out of stock Inquiry
Batchno.20251206 50μg In stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250226 50μg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS82200-87-1
  • Purity/Analytical Methods: >99.0%
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82200-87-1 / (5S,15S)-5,15-dihydroxyicosa-6,8,11,13-tetraenoic acid

Standard CAS: 82200-87-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
82200-87-1
Multi CAS
Yes
Molecular Formula
C20H32O4
Molecular Weight
336.500000
Exact Mass
336.230060
InChI
InChI=1S/C20H32O4/c1-2-3-9-13-18(21)14-10-7-5-4-6-8-11-15-19(22)16-12-17-20(23)24/h5-8,10-11,14-15,18-19,21-22H,2-4,9,12-13,16-17H2,1H3,(H,23,24)/b7-5-,8-6-,14-10+,15-11+/t18-,19+/m0/s1
InChIKey
UXGXCGPWGSUMNI-BVHTXILBSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Fraction Csp3
0.55
Rotatable bonds
14
H-bond acceptors
3
H-bond donors
3
Molar refractivity
98.82
TPSA
77.76

LogP / Solubility

WLOGP
4.16
MLOGP
3.68
XLogP3
4
Consensus LogP
3.95
Log S (ESOL)
-3.62
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.32
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.98
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)
-1.82

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

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