[email protected]
CAS 1214377-19-1 4-Fluoro-2-methoxybenzene-1-sulfonyl chloride molecular structure lightbox
CAS RN: 1214377-19-1

4-Fluoro-2-methoxybenzene-1-sulfonyl chloride

  • Product code: SSC-023841
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: 5g, 0.1g, 0.25g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 2
  • 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 1214377-19-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 2 In Stock Shanghai Inquiry
0.1g ≥95% 1 In Stock Shanghai Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1214377-19-1 / 4-fluoro-2-methoxybenzenesulfonyl chloride

Standard CAS: 1214377-19-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1214377-19-1
Multi CAS
No
Molecular Formula
C7H6ClFO3S
Molecular Weight
224.640000
Exact Mass
223.971021
SMILES
COC1=C(C=CC(=C1)F)S(=O)(=O)Cl
InChI
InChI=1S/C7H6ClFO3S/c1-12-6-4-5(9)2-3-7(6)13(8,10)11/h2-4H,1H3
InChIKey
IDGYBLMLBADGPP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
45.99
TPSA
43.37

LogP / Solubility

WLOGP
1.76
MLOGP
1.55
XLogP3
1.7
Consensus LogP
1.67
Log S (ESOL)
-2.55
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.67
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.82
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)
-2.84

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Corrosive
Signal
Danger
GHS Hazard Statements
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement Codes
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us