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CAS 18323-58-5 4-METHYLUMBELLIFERYL OLEATE molecular structure lightbox
CAS RN: 18323-58-5

4-METHYLUMBELLIFERYL OLEATE

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4 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260102 100mg Out of stock Inquiry
Batchno.20250606 1g Out of stock Inquiry
Batchno.20250210 250mg In stock Shanghai Inquiry
Batchno.20250516 50mg In stock Shanghai Inquiry
  • Product code: starshine_CAS18323-58-5
  • Purity/Analytical Methods: >99.0%
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18323-58-5 / (4-methyl-2-oxochromen-7-yl) (Z)-octadec-9-enoate

Standard CAS: 18323-58-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
18323-58-5
Multi CAS
No
Molecular Formula
C28H40O4
Molecular Weight
440.600000
Exact Mass
440.292660
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OC1=CC2=C(C=C1)C(=CC(=O)O2)C
InChI
InChI=1S/C28H40O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27(29)31-24-19-20-25-23(2)21-28(30)32-26(25)22-24/h10-11,19-22H,3-9,12-18H2,1-2H3/b11-10-
InChIKey
NKQFKJYKCVDLPT-KHPPLWFESA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
10
Fraction Csp3
0.57
Rotatable bonds
16
H-bond acceptors
4
Molar refractivity
132.31
TPSA
56.51

LogP / Solubility

WLOGP
8.04
MLOGP
7.11
XLogP3
9.5
Consensus LogP
8.22
Log S (ESOL)
-6.82
Class (ESOL)
Insoluble
Log S (Ali)
-8.98
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.12
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.3

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
2.5

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