CAS RN: 32631-29-1
4-AMINO-4′-CHLORO DIPHENYL SULFIDE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260228 | 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS32631-29-1
- Purity/Analytical Methods: >99.0%
32631-29-1 / 4-(4-chlorophenyl)sulfanylaniline
Basic Information
CAS
32631-29-1
Multi CAS
Yes
Molecular Formula
C12H10CLNS
Molecular Weight
235.730000
Exact Mass
235.022248
InChI
InChI=1S/C12H10ClNS/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H,14H2
InChIKey
DVTZWUZZYSGZLE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
66.43
TPSA
26.02
LogP / Solubility
WLOGP
4.07
MLOGP
3.59
XLogP3
3.5
Consensus LogP
3.72
Log S (ESOL)
-4.33
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.43
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.81
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.27
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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