[email protected]
CAS 2613-30-1 4-Chloro-2,5-difluorophenylamine molecular structure lightbox
CAS RN: 2613-30-1

4-Chloro-2,5-difluorophenylamine

  • Product code: SSC-123046
GET A QUOTE
Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 10g, 5g, 25g, 1g, 100g
  • Available purity: >97%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 2613-30-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g >97% 5 In Stock Beijing Inquiry
5g >97% 3 In Stock Shanghai Inquiry
25g >97% 2 In Stock Shenzhen Inquiry
1g >97% 1 In Stock Shenzhen Inquiry
100g >97% 1 In Stock Hong Kong Inquiry

2613-30-1 / 4-chloro-2,5-difluoroaniline

Standard CAS: 2613-30-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2613-30-1
Multi CAS
No
Molecular Formula
C6H4ClF2N
Molecular Weight
163.550000
Exact Mass
163.000033
SMILES
C1=C(C(=CC(=C1F)Cl)F)N
InChI
InChI=1S/C6H4ClF2N/c7-3-1-5(9)6(10)2-4(3)8/h1-2H,10H2
InChIKey
PYRVOUSDQGBZRG-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
35.78
TPSA
26.02

LogP / Solubility

WLOGP
2.2
MLOGP
1.93
XLogP3
2.1
Consensus LogP
2.08
Log S (ESOL)
-2.68
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.49
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.55
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.16

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us