![CAS 793727-97-6 2-CHLORO-N-[4-[(2,5-DIMETHYLPHENYL)THIO]PHENYL]ACETAMIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB1345344.gif)
CAS RN: 793727-97-6
2-CHLORO-N-[4-[(2,5-DIMETHYLPHENYL)THIO]PHENYL]ACETAMIDE
- Product code: SSC-188566
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 0.25g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
793727-97-6 / 2-chloro-N-[4-(2,5-dimethylphenyl)sulfanylphenyl]acetamide
Basic Information
CAS
793727-97-6
Multi CAS
No
Molecular Formula
C16H16CLNOS
Molecular Weight
305.800000
Exact Mass
305.064113
InChI
InChI=1S/C16H16ClNOS/c1-11-3-4-12(2)15(9-11)20-14-7-5-13(6-8-14)18-16(19)10-17/h3-9H,10H2,1-2H3,(H,18,19)
InChIKey
KACFZWRSHRBOAC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.19
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
85.83
TPSA
29.1
LogP / Solubility
WLOGP
4.63
MLOGP
4.09
XLogP3
4.5
Consensus LogP
4.41
Log S (ESOL)
-4.83
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.41
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.97
Class (SILICOS-IT)
Slightly soluble
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)
-1.3
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
1.5
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