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CAS 175278-26-9 2,4-DICHLORO-6-METHYLBENZENESULPHONYL CHLORIDE molecular structure lightbox
CAS RN: 175278-26-9

2,4-DICHLORO-6-METHYLBENZENESULPHONYL CHLORIDE

Product Availability

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3 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250606 250mg / 1g Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250715 1g Out of stock 8-10 business days Inquiry
Batchno.20260630 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS175278-26-9
  • Purity/Analytical Methods: >99.0%
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175278-26-9 / 2,4-dichloro-6-methylbenzenesulfonyl chloride

Standard CAS: 175278-26-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
175278-26-9
Multi CAS
No
Molecular Formula
C7H5Cl3O2S
Molecular Weight
259.500000
Exact Mass
257.907584
SMILES
CC1=CC(=CC(=C1S(=O)(=O)Cl)Cl)Cl
InChI
InChI=1S/C7H5Cl3O2S/c1-4-2-5(8)3-6(9)7(4)13(10,11)12/h2-3H,1H3
InChIKey
LHMUXGRPLOUXAY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
54.24
TPSA
34.14

LogP / Solubility

WLOGP
3.23
MLOGP
2.85
XLogP3
3.6
Consensus LogP
3.23
Log S (ESOL)
-3.76
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.02
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.15
Class (SILICOS-IT)
Slightly 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)
-2.01

Drug-likeness / Medicinal Chemistry

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

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