![CAS 851452-58-9 Acetamide, N-1,3-benzodioxol-5-yl-2-chloro-N-[[2-(2-propen-1-yloxy)phenyl]methyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/851452-58-9.gif)
CAS RN: 851452-58-9
Acetamide, N-1,3-benzodioxol-5-yl-2-chloro-N-[[2-(2-propen-1-yloxy)phenyl]methyl]-
- Product code: SSC-193304
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 | Hong Kong | Inquiry |
851452-58-9 / N-(1,3-benzodioxol-5-yl)-2-chloro-N-[(2-prop-2-enoxyphenyl)methyl]acetamide
Basic Information
CAS
851452-58-9
Multi CAS
No
Molecular Formula
C19H18CLNO4
Molecular Weight
359.800000
Exact Mass
359.092436
InChI
InChI=1S/C19H18ClNO4/c1-2-9-23-16-6-4-3-5-14(16)12-21(19(22)11-20)15-7-8-17-18(10-15)25-13-24-17/h2-8,10H,1,9,11-13H2
InChIKey
QQPZDSQLEDTJRI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.21
Rotatable bonds
7
H-bond acceptors
4
Molar refractivity
96.61
TPSA
48
LogP / Solubility
WLOGP
3.75
MLOGP
3.32
XLogP3
3.8
Consensus LogP
3.62
Log S (ESOL)
-4.33
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.22
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.95
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
Yes
Log Kp (skin permeation)
-2.25
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
2.5
Customers Also Viewed
-
-
[[1-(2-METHYLPHENYL)-1H-IMIDAZOL-2-YL]THIO]ACETIC ACID
- CAS RN: 851468-02-5
- Product Code: SSC-193307
-
1-[BIS(4-FLUOROPHENYL)METHYL]-4-(4-NITROPHENYL)PIPERAZINE
- CAS RN: 851472-82-7
- Product Code: starshine_CAS851472-82-7
- Purity/Analytical method: >99.0%
-
N-[3,5-bis(trifluoroMethyl)phenyl]-N’-(9R)-cinchonan-9-yl- Thiourea
- CAS RN: 851477-19-5
- Product Code: SSC-193308
-
1-[3,5-Bis(trifluoromethyl)phenyl]-3-[(1S,2S)-(+)-2-(dimethylamino)cyclohexyl]thiourea(S,S-TUC)
- CAS RN: 851477-20-8
- Product Code: SSC-193309
-
![CAS 851468-02-5 [[1-(2-METHYLPHENYL)-1H-IMIDAZOL-2-YL]THIO]ACETIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB2358279.gif)
![CAS 851472-82-7 1-[BIS(4-FLUOROPHENYL)METHYL]-4-(4-NITROPHENYL)PIPERAZINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/851472-82-7.gif)
![CAS 851477-19-5 N-[3,5-bis(trifluoroMethyl)phenyl]-N’-(9R)-cinchonan-9-yl- Thiourea molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/851477-19-5.gif)
![CAS 851477-20-8 1-[3,5-Bis(trifluoromethyl)phenyl]-3-[(1S,2S)-(+)-2-(dimethylamino)cyclohexyl]thiourea(S,S-TUC) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/851477-20-8.gif)
