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CAS 916888-47-6 Resolvin D3 molecular structure lightbox
CAS RN: 916888-47-6

Resolvin D3

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250505 50μg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS916888-47-6
  • Purity/Analytical Methods: >99.0%
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916888-47-6 / (4S,5Z,7E,9E,11R,13Z,15E,17S,19Z)-4,11,17-trihydroxydocosa-5,7,9,13,15,19-hexaenoic acid

Standard CAS: 916888-47-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
916888-47-6
Multi CAS
Yes
Molecular Formula
C22H32O5
Molecular Weight
376.500000
Exact Mass
376.224974
InChI
InChI=1S/C22H32O5/c1-2-3-7-12-19(23)14-10-6-11-15-20(24)13-8-4-5-9-16-21(25)17-18-22(26)27/h3-11,13-14,16,19-21,23-25H,2,12,15,17-18H2,1H3,(H,26,27)/b5-4+,7-3-,11-6-,13-8+,14-10+,16-9-/t19-,20-,21+/m0/s1
InChIKey
QBTJOLCUKWLTIC-UZAFJXHNSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Fraction Csp3
0.41
Rotatable bonds
14
H-bond acceptors
4
H-bond donors
4
Molar refractivity
109.26
TPSA
97.99

LogP / Solubility

WLOGP
3.46
MLOGP
3.07
XLogP3
2.9
Consensus LogP
3.14
Log S (ESOL)
-3.43
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.15
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.66
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
Yes
Log Kp (skin permeation)
-2.56

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
4

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