[email protected]
CAS 83162-84-9 Bonducellin molecular structure lightbox
CAS RN: 83162-84-9

Bonducellin

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250721 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS83162-84-9
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

83162-84-9 / (3E)-7-hydroxy-3-[(4-methoxyphenyl)methylidene]chromen-4-one

Standard CAS: 83162-84-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
83162-84-9
Multi CAS
Yes
Molecular Formula
C17H14O4
Molecular Weight
282.290000
Exact Mass
282.089209
InChI
InChI=1S/C17H14O4/c1-20-14-5-2-11(3-6-14)8-12-10-21-16-9-13(18)4-7-15(16)17(12)19/h2-9,18H,10H2,1H3/b12-8+
InChIKey
DLQSYZMPSWHYMW-XYOKQWHBSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
78.9
TPSA
55.76

LogP / Solubility

WLOGP
3.06
MLOGP
2.7
XLogP3
3
Consensus LogP
2.92
Log S (ESOL)
-3.81
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.08
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.27
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.27

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