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CAS 29124-55-8 2,2′-dithiobis[5-chloroaniline] molecular structure lightbox
CAS RN: 29124-55-8

2,2′-dithiobis[5-chloroaniline]

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250413 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS29124-55-8
  • Purity/Analytical Methods: >99.0%
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29124-55-8 / 2-[(2-amino-4-chlorophenyl)disulfanyl]-5-chloroaniline

Standard CAS: 29124-55-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
29124-55-8
Multi CAS
Yes
Molecular Formula
C12H10CL2N2S2
Molecular Weight
317.300000
Exact Mass
315.966246
InChI
InChI=1S/C12H10Cl2N2S2/c13-7-1-3-11(9(15)5-7)17-18-12-4-2-8(14)6-10(12)16/h1-6H,15-16H2
InChIKey
XMIKJNSWZZMXKK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
83.44
TPSA
52.04

LogP / Solubility

WLOGP
4.96
MLOGP
4.38
XLogP3
3.9
Consensus LogP
4.41
Log S (ESOL)
-5.23
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.74
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.2
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.14

Drug-likeness / Medicinal Chemistry

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

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