CAS RN: 7554-79-2
(2,4-DICHLORO-BENZOYLAMINO)-ACETIC ACID
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.20250217 | 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS7554-79-2
- Purity/Analytical Methods: >99.0%
7554-79-2 / 2-[(2,4-dichlorobenzoyl)amino]acetic acid
Basic Information
CAS
7554-79-2
Multi CAS
No
Molecular Formula
C9H7CL2NO3
Molecular Weight
248.060000
Exact Mass
246.980299
InChI
InChI=1S/C9H7Cl2NO3/c10-5-1-2-6(7(11)3-5)9(15)12-4-8(13)14/h1-3H,4H2,(H,12,15)(H,13,14)
InChIKey
NSEWCAZRGRZTHU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.11
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
56.43
TPSA
66.4
LogP / Solubility
WLOGP
1.81
MLOGP
1.6
XLogP3
2
Consensus LogP
1.8
Log S (ESOL)
-2.61
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.9
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.13
Class (SILICOS-IT)
Poorly 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)
-2.95
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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- CAS RN: 7554-90-7
- Product Code: starshine_CAS7554-90-7
- Purity/Analytical method: >99.0%
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