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CAS 34322-51-5 2-Naphthalenesulfonic acid, 6-(dimethylamino)- molecular structure lightbox
CAS RN: 34322-51-5

2-Naphthalenesulfonic acid, 6-(dimethylamino)-

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4 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250604 1g In stock Shanghai, Shenzhen Inquiry
Batchno.20250202 250mg In stock Shanghai Inquiry
Batchno.20251016 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
Batchno.20250907 5g Out of stock Inquiry
  • Product code: starshine_CAS34322-51-5
  • Purity/Analytical Methods: >99.0%
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34322-51-5 / 6-(dimethylamino)naphthalene-2-sulfonic acid

Standard CAS: 34322-51-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
34322-51-5
Multi CAS
No
Molecular Formula
C12H13NO3S
Molecular Weight
251.300000
Exact Mass
251.061614
InChI
InChI=1S/C12H13NO3S/c1-13(2)11-5-3-10-8-12(17(14,15)16)6-4-9(10)7-11/h3-8H,1-2H3,(H,14,15,16)
InChIKey
MLWGJWPCYRPPMQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
10
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
68.09
TPSA
57.61

LogP / Solubility

WLOGP
2.15
MLOGP
1.9
XLogP3
0.8
Consensus LogP
1.62
Log S (ESOL)
-3.06
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.17
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.32
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.72

Drug-likeness / Medicinal Chemistry

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

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