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CAS 1268720-28-0 7(R)-Maresin 1 molecular structure lightbox
CAS RN: 1268720-28-0

7(R)-Maresin 1

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Available package options are listed below.

1 package records0 with current stock
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260607 25μg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1268720-28-0
  • Purity/Analytical Methods: >99.0%
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1268720-28-0 / (4Z,7R,8E,10E,12Z,14S,16Z,19Z)-7,14-dihydroxydocosa-4,8,10,12,16,19-hexaenoic acid

Standard CAS: 1268720-28-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1268720-28-0
Multi CAS
No
Molecular Formula
C22H32O4
Molecular Weight
360.500000
Exact Mass
360.230060
SMILES
CC/C=C\C/C=C\C[C@@H](/C=C\C=C\C=C\[C@@H](C/C=C\CCC(=O)O)O)O
InChI
InChI=1S/C22H32O4/c1-2-3-4-5-6-10-15-20(23)16-11-7-8-12-17-21(24)18-13-9-14-19-22(25)26/h3-4,6-13,16-17,20-21,23-24H,2,5,14-15,18-19H2,1H3,(H,25,26)/b4-3-,8-7+,10-6-,13-9-,16-11-,17-12+/t20-,21-/m0/s1
InChIKey
HLHYXXBCQOUTGK-FHCQLJOMSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Fraction Csp3
0.41
Rotatable bonds
14
H-bond acceptors
3
H-bond donors
3
Molar refractivity
107.87
TPSA
77.76

LogP / Solubility

WLOGP
4.49
MLOGP
3.97
XLogP3
4
Consensus LogP
4.15
Log S (ESOL)
-3.98
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.76
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.41
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
Yes
Log Kp (skin permeation)
-1.73

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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