[email protected]
CAS 42506-03-6 9-CHLORO-9-PHENYLXANTHENE molecular structure lightbox
CAS RN: 42506-03-6

9-CHLORO-9-PHENYLXANTHENE

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250606 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS42506-03-6
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

42506-03-6 / 9-chloro-9-phenylxanthene

Standard CAS: 42506-03-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
42506-03-6
Multi CAS
Yes
Molecular Formula
C19H13CLO
Molecular Weight
292.800000
Exact Mass
292.065493
InChI
InChI=1S/C19H13ClO/c20-19(14-8-2-1-3-9-14)15-10-4-6-12-17(15)21-18-13-7-5-11-16(18)19/h1-13H
InChIKey
HTGMODSTGYKJDG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
18
Fraction Csp3
0.05
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
85.14
TPSA
9.23

LogP / Solubility

WLOGP
5.32
MLOGP
4.7
XLogP3
5.1
Consensus LogP
5.04
Log S (ESOL)
-5.58
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.8
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.1
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.73

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us