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CAS 1187629-43-1 (R)-1,1′-Binaphthyl-2,2′-disulfonyl Dichloride molecular structure lightbox
CAS RN: 1187629-43-1

(R)-1,1′-Binaphthyl-2,2′-disulfonyl Dichloride

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4 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250608 50mg Out of stock 5-7 business days Inquiry
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Batchno.20250117 1g In stock Shanghai Inquiry
Batchno.20260415 250mg In stock Shanghai Inquiry
Batchno.20250121 5g Out of stock Inquiry
  • Product code: ICTB4187
  • Purity/Analytical Methods: >98.0%(HPLC)
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1187629-43-1 / 1-(2-chlorosulfonylnaphthalen-1-yl)naphthalene-2-sulfonyl chloride

(R)-1,1'-Binaphthyl-2,2'-disulfonyl Dichloride | RefChem:407082 | 805-775-6

Standard CAS: 1187629-43-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1187629-43-1
Multi CAS
No
Molecular Formula
C20H12Cl2O4S2
Molecular Weight
451.300000
Exact Mass
449.955407
SMILES
C1=CC=C2C(=C1)C=CC(=C2C3=C(C=CC4=CC=CC=C43)S(=O)(=O)Cl)S(=O)(=O)Cl
InChI
InChI=1S/C20H12Cl2O4S2/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
InChIKey
LPHLPJZENXUTJT-UHFFFAOYSA-N
Synonyms
(R)-1,1'-Binaphthyl-2,2'-disulfonyl Dichloride RefChem:407082 805-775-6 (R)-1,1'-Binaphthyl-2,2'-disulfonyl Chloride MFCD25372566

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
20
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
112.97
TPSA
68.28

LogP / Solubility

WLOGP
5.52
MLOGP
4.88
XLogP3
6.1
Consensus LogP
5.5
Log S (ESOL)
-6.44
Class (ESOL)
Insoluble
Log S (Ali)
-7.24
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.53
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.56

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Corrosive
Signal
Danger
GHS Hazard Statements
H290 (100%): May be corrosive to metals [Warning Corrosive to Metals] H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P234, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P390, P405, P406, and P501

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