[email protected]
CAS 149183-75-5 OLEACEIN molecular structure lightbox
CAS RN: 149183-75-5

OLEACEIN

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250920 5mg Out of stock Inquiry
  • Product code: starshine_CAS149183-75-5
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

149183-75-5 / 2-(3,4-dihydroxyphenyl)ethyl (Z)-4-formyl-3-(2-oxoethyl)hex-4-enoate

Standard CAS: 149183-75-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
149183-75-5
Multi CAS
No
Molecular Formula
C17H20O6
Molecular Weight
320.300000
Exact Mass
320.125988
SMILES
C/C=C(\C=O)/C(CC=O)CC(=O)OCCC1=CC(=C(C=C1)O)O
InChI
InChI=1S/C17H20O6/c1-2-13(11-19)14(5-7-18)10-17(22)23-8-6-12-3-4-15(20)16(21)9-12/h2-4,7,9,11,14,20-21H,5-6,8,10H2,1H3/b13-2-/t14-/m0/s1
InChIKey
XLPXUPOZUYGVPD-VMPILDALSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.35
Rotatable bonds
9
H-bond acceptors
6
H-bond donors
2
Molar refractivity
83.04
TPSA
100.9

LogP / Solubility

WLOGP
1.92
MLOGP
1.71
XLogP3
1.1
Consensus LogP
1.58
Log S (ESOL)
-2.64
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.58
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.42
Class (SILICOS-IT)
Slightly soluble

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
No
Log Kp (skin permeation)
-3.31

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

Customers Also Viewed

Get In Touch

Contact Us