CAS RN: 646530-37-2
3-Isoxazolecarboxamide, N-(2,4-dichlorophenyl)-5-methyl-
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.20250924 | 5mg / 10mg / 25mg / 100mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS646530-37-2
- Purity/Analytical Methods: >99.0%
646530-37-2 / N-(2,4-dichlorophenyl)-5-methyl-1,2-oxazole-3-carboxamide
Basic Information
CAS
646530-37-2
Multi CAS
Yes
Molecular Formula
C11H8CL2N2O2
Molecular Weight
271.100000
Exact Mass
269.996283
InChI
InChI=1S/C11H8Cl2N2O2/c1-6-4-10(15-17-6)11(16)14-9-3-2-7(12)5-8(9)13/h2-5H,1H3,(H,14,16)
InChIKey
ULPKSWAQDCJLMN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
11
Fraction Csp3
0.09
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
65.66
TPSA
55.13
LogP / Solubility
WLOGP
3.54
MLOGP
3.13
XLogP3
3.2
Consensus LogP
3.29
Log S (ESOL)
-4.1
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.34
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.6
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.86
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
BAY 58-2667 hydrochloride
- CAS RN: 646995-35-9
- Product Code: starshine_CAS646995-35-9
- Purity/Analytical method: >99.0%
-
-
Decanoic acid, 2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-
- CAS RN: 647014-76-4
- Product Code: SSC-174399
-
-
-
![CAS 647014-76-4 Decanoic acid, 2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/647014-76-4.gif)
