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CAS 1092934-18-3 R-1,1′-binaphthalene-2,2′-disulfonic acid molecular structure lightbox
CAS RN: 1092934-18-3

R-1,1′-binaphthalene-2,2′-disulfonic acid

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250328 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1092934-18-3
  • Purity/Analytical Methods: >99.0%
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1092934-18-3 / 1-(2-sulfonaphthalen-1-yl)naphthalene-2-sulfonic acid

(R)-[1,1'-Binaphthalene]-2,2'-disulfonic acid | (R)-[1,1']Binaphthalenyl-2,2'-disulfonic acid | 1,1'-Binaphthalene-2,2'-disulfonic acid

Standard CAS: 1092934-18-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1092934-18-3
Multi CAS
No
Molecular Formula
C20H14O6S2
Molecular Weight
414.500000
Exact Mass
414.023181
SMILES
C1=CC=C2C(=C1)C=CC(=C2C3=C(C=CC4=CC=CC=C43)S(=O)(=O)O)S(=O)(=O)O
InChI
InChI=1S/C20H14O6S2/c21-27(22,23)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(24,25)26/h1-12H,(H,21,22,23)(H,24,25,26)
InChIKey
ZSWODTYSMOCDKE-UHFFFAOYSA-N
Synonyms
(R)-[1,1'-Binaphthalene]-2,2'-disulfonic acid (R)-[1,1']Binaphthalenyl-2,2'-disulfonic acid 1,1'-Binaphthalene-2,2'-disulfonic acid [1,1'-Binaphthalene]-2,2'-disulfonic acid MFCD22377560

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
106.52
TPSA
108.74

LogP / Solubility

WLOGP
4.15
MLOGP
3.68
XLogP3
3.5
Consensus LogP
3.78
Log S (ESOL)
-5.36
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.96
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.16
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.3

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
3

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302+H332 (100%): Harmful if swallowed or if inhaled [Warning Acute toxicity, oral; acute toxicity, inhalation] H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement Codes
P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, and P501

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