![CAS 873810-49-2 2-CHLORO-N-[4-[(2,6-DIMETHYLMORPHOLIN-4-YL)SULFONYL]PHENYL]ACETAMIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB1269925.gif)
CAS RN: 873810-49-2
2-CHLORO-N-[4-[(2,6-DIMETHYLMORPHOLIN-4-YL)SULFONYL]PHENYL]ACETAMIDE
- Product code: SSC-197232
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 | Hong Kong | Inquiry |
873810-49-2 / 2-chloro-N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]acetamide
Basic Information
CAS
873810-49-2
Multi CAS
No
Molecular Formula
C14H19CLN2O4S
Molecular Weight
346.800000
Exact Mass
346.075406
InChI
InChI=1S/C14H19ClN2O4S/c1-10-8-17(9-11(2)21-10)22(19,20)13-5-3-12(4-6-13)16-14(18)7-15/h3-6,10-11H,7-9H2,1-2H3,(H,16,18)
InChIKey
FFPDNVPIQHMRJP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
84.56
TPSA
75.71
LogP / Solubility
WLOGP
1.66
MLOGP
1.48
XLogP3
1.4
Consensus LogP
1.51
Log S (ESOL)
-2.98
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.6
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.77
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.66
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3.5
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