![CAS 871673-31-3 2-CHLORO-N-[4-(DIFLUOROMETHOXY)PHENYL]PROPANAMIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB2705239.gif)
CAS RN: 871673-31-3
2-CHLORO-N-[4-(DIFLUOROMETHOXY)PHENYL]PROPANAMIDE
- Product code: SSC-196803
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 |
871673-31-3 / 2-[4-(2-amino-2-sulfanylideneethyl)piperazin-1-yl]-N-tert-butylacetamide
Basic Information
CAS
871673-31-3
Multi CAS
Yes
Molecular Formula
C12H24N4OS
Molecular Weight
272.410000
Exact Mass
272.167083
InChI
InChI=1S/C12H24N4OS/c1-12(2,3)14-11(17)9-16-6-4-15(5-7-16)8-10(13)18/h4-9H2,1-3H3,(H2,13,18)(H,14,17)
InChIKey
GPFXGISLMAMSAE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.83
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
77.56
TPSA
61.6
LogP / Solubility
WLOGP
-0.2
MLOGP
-0.16
XLogP3
-0.1
Consensus LogP
-0.15
Log S (ESOL)
-1.14
Class (ESOL)
Soluble
Log S (Ali)
-1.65
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.75
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.52
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
Customers Also Viewed
-
5-(3-TRIFLUOROMETHYLPHENYL)-ISOXAZOLE-3-CARBOXYLIC ACID ETHYL ESTER
- CAS RN: 871676-36-7
- Product Code: SSC-196804
-
-
4-(6-BroMo-pyridin-2-yloxy)-piperidine-1-carboxylic acid tert-butyl ester, 98+% C15H21BrN2O3, MW: 357.25
- CAS RN: 871681-76-4
- Product Code: SSC-196806
-
1-cyclopropyl-3-(2-fluoro-4-iodophenyl)urea
- CAS RN: 871700-18-4
- Product Code: starshine_CAS871700-18-4
- Purity/Analytical method: >99.0%
-
3-cyclopropyl-1-(2-fluoro-4-iodophenyl)-6-(MethylaMino)pyriMidine-2,4(1H,3H)-dione
- CAS RN: 871700-22-0
- Product Code: SSC-196810
-
3-cyclopropyl-1-(2-fluoro-4-iodophenyl)-5-hydroxy-6,8-diMethylpyrido[2,3-d]pyriMidine-2,4,7(1H,3H,8H)-trione
- CAS RN: 871700-24-2
- Product Code: SSC-196811
![CAS 871700-24-2 3-cyclopropyl-1-(2-fluoro-4-iodophenyl)-5-hydroxy-6,8-diMethylpyrido[2,3-d]pyriMidine-2,4,7(1H,3H,8H)-trione molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/871700-24-2.gif)