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CAS 1245748-66-6 (S)-1,1′-binaphthyl-2,3′-disulfoniMide molecular structure lightbox
CAS RN: 1245748-66-6

(S)-1,1′-binaphthyl-2,3′-disulfoniMide

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Batchno.20251213 250mg / 500mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1245748-66-6
  • Purity/Analytical Methods: >99.0%
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1245748-66-6 / 1-(2-sulfamoylnaphthalen-1-yl)naphthalene-2-sulfonamide

Standard CAS: 1245748-66-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1245748-66-6
Multi CAS
No
Molecular Formula
C20H16N2O4S2
Molecular Weight
412.500000
Exact Mass
412.055149
SMILES
C1=CC=C2C(=C1)C=CC(=C2C3=C(C=CC4=CC=CC=C43)S(=O)(=O)N)S(=O)(=O)N
InChI
InChI=1S/C20H16N2O4S2/c21-27(23,24)17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)28(22,25)26/h1-12H,(H2,21,23,24)(H2,22,25,26)
InChIKey
GHOMEMIQVSTVEP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
20
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
109.64
TPSA
120.32

LogP / Solubility

WLOGP
2.95
MLOGP
2.63
XLogP3
3.2
Consensus LogP
2.93
Log S (ESOL)
-4.59
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.08
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.15
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.14

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264+P265, P280, P305+P351+P338, and P337+P317

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