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CAS 73584-67-5 27-p-Coumaroyloxyursolic acid molecular structure lightbox
CAS RN: 73584-67-5

27-p-Coumaroyloxyursolic acid

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2 package records0 with current stock2 grade groups
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Batchno.20260508 5mg Out of stock 30 business days Inquiry
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  • Product code: starshine_CAS73584-67-5
  • Purity/Analytical Methods: >99.0%
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73584-67-5 / 10-hydroxy-6a-[3-(4-hydroxyphenyl)prop-2-enoyloxymethyl]-1,2,6b,9,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid

Standard CAS: 73584-67-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
73584-67-5
Multi CAS
Yes
Molecular Formula
C39H54O6
Molecular Weight
618.800000
Exact Mass
618.392039
InChI
InChI=1S/C39H54O6/c1-24-15-20-38(34(43)44)21-22-39(23-45-32(42)14-9-26-7-10-27(40)11-8-26)28(33(38)25(24)2)12-13-30-36(5)18-17-31(41)35(3,4)29(36)16-19-37(30,39)6/h7-12,14,24-25,29-31,33,40-41H,13,15-23H2,1-6H3,(H,43,44)
InChIKey
RZHJGXXCTIXCRI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
45
Aromatic heavy atom count
6
Fraction Csp3
0.69
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
3
Molar refractivity
175.04
TPSA
104.06

LogP / Solubility

WLOGP
8.03
MLOGP
7.12
XLogP3
8.2
Consensus LogP
7.78
Log S (ESOL)
-8.51
Class (ESOL)
Insoluble
Log S (Ali)
-10.43
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.95
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.79

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
10

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