[email protected]
CAS 151334-06-4 3-O-(E)-Hydroxycinnamoyl oleanolic acid molecular structure lightbox
CAS RN: 151334-06-4

3-O-(E)-Hydroxycinnamoyl oleanolic acid

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260610 1mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS151334-06-4
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

151334-06-4 / (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

Standard CAS: 151334-06-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
151334-06-4
Multi CAS
No
Molecular Formula
C39H54O5
Molecular Weight
602.800000
Exact Mass
602.397125
SMILES
C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)C)(C)C)OC(=O)/C=C/C6=CC=C(C=C6)O
InChI
InChI=1S/C39H54O5/c1-34(2)20-22-39(33(42)43)23-21-37(6)27(28(39)24-34)13-14-30-36(5)18-17-31(35(3,4)29(36)16-19-38(30,37)7)44-32(41)15-10-25-8-11-26(40)12-9-25/h8-13,15,28-31,40H,14,16-24H2,1-7H3,(H,42,43)/b15-10+/t28-,29-,30+,31-,36-,37+,38+,39-/m0/s1
InChIKey
PSKOYUFGDWKJBO-CEDKKCENSA-N

Computed Properties

Structural Parameters

Heavy atom count
44
Aromatic heavy atom count
6
Fraction Csp3
0.69
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
173.7
TPSA
83.83

LogP / Solubility

WLOGP
9.2
MLOGP
8.15
XLogP3
9.8
Consensus LogP
9.05
Log S (ESOL)
-9.21
Class (ESOL)
Insoluble
Log S (Ali)
-11.15
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.7
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
0.14

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
9.5

Customers Also Viewed

Get In Touch

Contact Us