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CAS 1323-38-2 GLYCERYL MONORICINOLEATE molecular structure lightbox
CAS RN: 1323-38-2

GLYCERYL MONORICINOLEATE

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251022 25g / 100g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS1323-38-2
  • Purity/Analytical Methods: >99.0%
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1323-38-2 / 2,3-dihydroxypropyl (Z,12R)-12-hydroxyoctadec-9-enoate

Standard CAS: 1323-38-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1323-38-2
Multi CAS
No
Molecular Formula
C21H40O5
Molecular Weight
372.500000
Exact Mass
372.287574
SMILES
CCCCCC[C@H](C/C=C\CCCCCCCC(=O)OCC(CO)O)O
InChI
InChI=1S/C21H40O5/c1-2-3-4-11-14-19(23)15-12-9-7-5-6-8-10-13-16-21(25)26-18-20(24)17-22/h9,12,19-20,22-24H,2-8,10-11,13-18H2,1H3/b12-9-/t19-,20?/m1/s1
InChIKey
HDIFHQMREAYYJW-XGXNLDPDSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Fraction Csp3
0.86
Rotatable bonds
18
H-bond acceptors
5
H-bond donors
3
Molar refractivity
104.89
TPSA
86.99

LogP / Solubility

WLOGP
3.89
MLOGP
3.44
XLogP3
4.8
Consensus LogP
4.04
Log S (ESOL)
-3.41
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.42
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.47
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)
-2.23

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
3.5

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 8 of 8 companies. For more detailed information, please visit ECHA C&L website.

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