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CAS 779333-58-3 Oleoyl 3-carbacyclic Phosphatidic Acid Exclusive molecular structure lightbox
CAS RN: 779333-58-3

Oleoyl 3-carbacyclic Phosphatidic Acid Exclusive

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260528 1mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS779333-58-3
  • Purity/Analytical Methods: >99.0%
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779333-58-3 / (2-hydroxy-2-oxo-1,2lambda5-oxaphospholan-5-yl)methyl (Z)-octadec-9-enoate

Standard CAS: 779333-58-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
779333-58-3
Multi CAS
Yes
Molecular Formula
C22H41O5P
Molecular Weight
416.500000
Exact Mass
416.269161
InChI
InChI=1S/C22H41O5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(23)26-20-21-18-19-28(24,25)27-21/h9-10,21H,2-8,11-20H2,1H3,(H,24,25)/b10-9-
InChIKey
IJSTZKWSILWQEC-KTKRTIGZSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Fraction Csp3
0.86
Rotatable bonds
17
H-bond acceptors
4
H-bond donors
1
Molar refractivity
114.59
TPSA
72.83

LogP / Solubility

WLOGP
6.54
MLOGP
5.78
XLogP3
6.5
Consensus LogP
6.27
Log S (ESOL)
-5.42
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.7
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.84
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
-0.62

Drug-likeness / Medicinal Chemistry

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

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