[email protected]
CAS 101366-51-2 4′-Methyl-[1,1′-biphenyl]-4-sulphonyl chloride molecular structure lightbox
CAS RN: 101366-51-2

4′-Methyl-[1,1′-biphenyl]-4-sulphonyl chloride

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260117 250mg Out of stock 8-10 business days Inquiry
  • Product code: LINM921168
GET A QUOTE

101366-51-2 / 4-(4-methylphenyl)benzenesulfonyl chloride

4'-Methyl-[1,1'-biphenyl]-4-sulphonyl chloride | 4'-Methyl-(1,1'-biphenyl)-4-sulphonyl chloride | RefChem:506188

Standard CAS: 101366-51-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
101366-51-2
Multi CAS
No
Molecular Formula
C13H11ClO2S
Molecular Weight
266.740000
Exact Mass
266.016829
SMILES
CC1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)Cl
InChI
InChI=1S/C13H11ClO2S/c1-10-2-4-11(5-3-10)12-6-8-13(9-7-12)17(14,15)16/h2-9H,1H3
InChIKey
DBYXACYHGMSPMQ-UHFFFAOYSA-N
Synonyms
4'-Methyl-[1,1'-biphenyl]-4-sulphonyl chloride 4'-Methyl-(1,1'-biphenyl)-4-sulphonyl chloride RefChem:506188 638-951-4 4'-Methylbiphenyl-4-sulfonyl chloride

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
69.65
TPSA
34.14

LogP / Solubility

WLOGP
3.59
MLOGP
3.17
XLogP3
3.9
Consensus LogP
3.55
Log S (ESOL)
-4.15
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.34
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.61
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.8

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