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CAS 90780-50-0 (±)10-HDoHE molecular structure lightbox
CAS RN: 90780-50-0

(±)10-HDoHE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250223 100μg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS90780-50-0
  • Purity/Analytical Methods: >99.0%
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90780-50-0 / (4Z,7Z,11E,13Z,16Z,19Z)-10-hydroxydocosa-4,7,11,13,16,19-hexaenoic acid

Standard CAS: 90780-50-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
90780-50-0
Multi CAS
Yes
Molecular Formula
C22H32O3
Molecular Weight
344.500000
Exact Mass
344.235145
InChI
InChI=1S/C22H32O3/c1-2-3-4-5-6-7-8-9-12-15-18-21(23)19-16-13-10-11-14-17-20-22(24)25/h3-4,6-7,9,11-16,18,21,23H,2,5,8,10,17,19-20H2,1H3,(H,24,25)/b4-3-,7-6-,12-9-,14-11-,16-13-,18-15+
InChIKey
DDCYKEYDTGCKAS-SKSHMZPZSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Fraction Csp3
0.41
Rotatable bonds
14
H-bond acceptors
2
H-bond donors
2
Molar refractivity
106.48
TPSA
57.53

LogP / Solubility

WLOGP
5.52
MLOGP
4.87
XLogP3
5.1
Consensus LogP
5.16
Log S (ESOL)
-4.53
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.37
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.16
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)
-0.9

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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