![CAS 885461-13-2 N-[5-(AMINOSULFONYL)-2,3-DIMETHYLPHENYL]-2-CHLOROACETAMIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB2759823.gif)
CAS RN: 885461-13-2
N-[5-(AMINOSULFONYL)-2,3-DIMETHYLPHENYL]-2-CHLOROACETAMIDE
- Product code: SSC-199469
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: 1g
- 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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
885461-13-2 / 2-chloro-N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide
Basic Information
CAS
885461-13-2
Multi CAS
No
Molecular Formula
C10H13CLN2O3S
Molecular Weight
276.740000
Exact Mass
276.033541
InChI
InChI=1S/C10H13ClN2O3S/c1-6-3-8(17(12,15)16)4-9(7(6)2)13-10(14)5-11/h3-4H,5H2,1-2H3,(H,13,14)(H2,12,15,16)
InChIKey
CJJOBIGZZCEYBH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
66.64
TPSA
89.26
LogP / Solubility
WLOGP
1.13
MLOGP
1
XLogP3
1
Consensus LogP
1.04
Log S (ESOL)
-2.33
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.64
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.76
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.61
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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