CAS RN: 82351-05-1
3,4-dichlorophenyl propenylisobutylamide
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260526 | 1mg / 5mg / 25mg / 100mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS82351-05-1
- Purity/Analytical Methods: >99.0%
82351-05-1 / N-butan-2-yl-3-(3,4-dichlorophenyl)prop-2-enamide
Basic Information
CAS
82351-05-1
Multi CAS
Yes
Molecular Formula
C13H15CL2NO
Molecular Weight
272.170000
Exact Mass
271.053070
InChI
InChI=1S/C13H15Cl2NO/c1-3-9(2)16-13(17)7-5-10-4-6-11(14)12(15)8-10/h4-9H,3H2,1-2H3,(H,16,17)/b7-5+
InChIKey
WMHSFCNWWYFBSS-FNORWQNLSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.31
Rotatable bonds
4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
73.39
TPSA
29.1
LogP / Solubility
WLOGP
3.92
MLOGP
3.46
XLogP3
4
Consensus LogP
3.79
Log S (ESOL)
-4
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.62
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.16
Class (SILICOS-IT)
Slightly 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)
-1.6
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
Customers Also Viewed
-
-
Carbamic acid, [(1R)-1-methyl-2-oxoethyl]-, 1,1-dimethylethyl ester (9CI)
- CAS RN: 82353-56-8
- Product Code: SSC-190516
-
1,5-Dihydroxy-3-methoxy-10-methyl-4-(3-methyl-2-butenyl)acridin-9(10H)-one
- CAS RN: 82354-36-7
- Product Code: starshine_CAS82354-36-7
- Purity/Analytical method: >99.0%
-
humantenmine
- CAS RN: 82354-38-9
- Product Code: starshine_CAS82354-38-9
- Purity/Analytical method: >99.0%
-
-
2-Thiazolol
- CAS RN: 82358-07-4
- Product Code: starshine_CAS82358-07-4
- Purity/Analytical method: >99.0%
![CAS 82353-56-8 Carbamic acid, [(1R)-1-methyl-2-oxoethyl]-, 1,1-dimethylethyl ester (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/82353-56-8.gif)
