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CAS 102062-46-4 N-(3-SULFOPROPYL)-3 3′ 5 5′-TETRAMETHYL& molecular structure lightbox
CAS RN: 102062-46-4

N-(3-SULFOPROPYL)-3 3′ 5 5′-TETRAMETHYL&

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260125 100mg In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20250726 1g In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250903 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260620 25g In stock Shenzhen, Tianjin Inquiry
Batchno.20260412 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: starshine_CAS102062-46-4
  • Purity/Analytical Methods: >99.0%
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102062-46-4 / sodium 3-[4-(4-amino-3,5-dimethylphenyl)-2,6-dimethylanilino]propane-1-sulfonate

Sodium 3-((4'-amino-3,3',5,5'-tetramethyl-[1,1'-biphenyl]-4-yl)amino)propane-1-sulfonate | TMBZ-PS | MFCD00077876

Standard CAS: 102062-46-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
102062-46-4
Multi CAS
Yes
Molecular Formula
C19H25N2NaO3S
Molecular Weight
384.500000
Exact Mass
384.148358
SMILES
CC1=CC(=CC(=C1N)C)C2=CC(=C(C(=C2)C)NCCCS(=O)(=O)[O-])C.[Na+]
InChI
InChI=1S/C19H26N2O3S.Na/c1-12-8-16(9-13(2)18(12)20)17-10-14(3)19(15(4)11-17)21-6-5-7-25(22,23)24;/h8-11,21H,5-7,20H2,1-4H3,(H,22,23,24);/q;+1/p-1
InChIKey
JOBKFCDDANZFOP-UHFFFAOYSA-M
Synonyms
Sodium 3-((4'-amino-3,3',5,5'-tetramethyl-[1,1'-biphenyl]-4-yl)amino)propane-1-sulfonate TMBZ-PS MFCD00077876 N-(3-Sulfopropyl)-3,3',5,5'-tetramethylbenzidine sodium salt 1-Propanesulfonic acid, 3-[(4'-amino-3,3',5,5'-tetramethyl[1,1'-biphenyl]-4-yl)amino]-, sodium salt (1:1)

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.37
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
2
Molar refractivity
102.91
TPSA
95.25

LogP / Solubility

WLOGP
0.52
MLOGP
0.48
XLogP3
0.52
Consensus LogP
0.51
Log S (ESOL)
-2.5
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.09
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.31
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.7

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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