[email protected]
CAS 545445-10-1 3,3-Dichloro-1-(4-iodophenyl)piperidin-2-one molecular structure lightbox
CAS RN: 545445-10-1

3,3-Dichloro-1-(4-iodophenyl)piperidin-2-one

Product Availability

Choose a grade to view its available package options.

2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250728 1g In stock Inquiry
Batchno.20260419 250mg In stock Inquiry
  • Product code: starshine_CAS545445-10-1
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

545445-10-1 / 3,3-dichloro-1-(4-iodophenyl)piperidin-2-one

Standard CAS: 545445-10-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
545445-10-1
Multi CAS
Yes
Molecular Formula
C11H10CL2INO
Molecular Weight
370.010000
Exact Mass
368.918420
InChI
InChI=1S/C11H10Cl2INO/c12-11(13)6-1-7-15(10(11)16)9-4-2-8(14)3-5-9/h2-5H,1,6-7H2
InChIKey
JVLADMOFJQGIIN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
75.18
TPSA
20.31

LogP / Solubility

WLOGP
3.59
MLOGP
3.18
XLogP3
3.6
Consensus LogP
3.46
Log S (ESOL)
-4.61
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.19
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.17
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.43

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us