[email protected]
CAS 874840-61-6 3-chloro-2-fluoro-4-iodoaniline molecular structure lightbox
CAS RN: 874840-61-6

3-chloro-2-fluoro-4-iodoaniline

  • Product code: SSC-197522
GET A QUOTE
Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 874840-61-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

874840-61-6 / 3-chloro-2-fluoro-4-iodoaniline

Standard CAS: 874840-61-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
874840-61-6
Multi CAS
No
Molecular Formula
C6H4CLFIN
Molecular Weight
271.460000
Exact Mass
270.906100
InChI
InChI=1S/C6H4ClFIN/c7-5-3(9)1-2-4(10)6(5)8/h1-2H,10H2
InChIKey
QJJHECBUOCWQLT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
H-bond acceptors
1
H-bond donors
1
Molar refractivity
48.54
TPSA
26.02

LogP / Solubility

WLOGP
2.67
MLOGP
2.35
XLogP3
2.6
Consensus LogP
2.54
Log S (ESOL)
-3.65
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.71
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.64
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.48

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us