[email protected]
CAS 411233-14-2 4-hydroxy-3′,5′-diacetyl-trans-stilbene molecular structure lightbox
CAS RN: 411233-14-2

4-hydroxy-3′,5′-diacetyl-trans-stilbene

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260502 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS411233-14-2
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

411233-14-2 / [3-acetyloxy-5-[2-(4-hydroxyphenyl)ethenyl]phenyl] acetate

Standard CAS: 411233-14-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
411233-14-2
Multi CAS
Yes
Molecular Formula
C18H16O5
Molecular Weight
312.300000
Exact Mass
312.099774
InChI
InChI=1S/C18H16O5/c1-12(19)22-17-9-15(10-18(11-17)23-13(2)20)4-3-14-5-7-16(21)8-6-14/h3-11,21H,1-2H3
InChIKey
YBTSXNIAKDYGPK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.11
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
1
Molar refractivity
86.09
TPSA
72.83

LogP / Solubility

WLOGP
3.41
MLOGP
3.02
XLogP3
3.3
Consensus LogP
3.24
Log S (ESOL)
-4.05
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.59
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.2

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

Customers Also Viewed

Get In Touch

Contact Us