CAS RN: 497060-62-5
2-(2-(N-(4-(ISOPROPYL)PHENYL)CARBAMOYL)PHENYL)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.20260225 | 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS497060-62-5
- Purity/Analytical Methods: >99.0%
497060-62-5 / 2-[2-[(4-propan-2-ylphenyl)carbamoyl]phenyl]acetic acid
Basic Information
CAS
497060-62-5
Multi CAS
No
Molecular Formula
C18H19NO3
Molecular Weight
297.300000
Exact Mass
297.136493
InChI
InChI=1S/C18H19NO3/c1-12(2)13-7-9-15(10-8-13)19-18(22)16-6-4-3-5-14(16)11-17(20)21/h3-10,12H,11H2,1-2H3,(H,19,22)(H,20,21)
InChIKey
HWVXCWBFAPHZOQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.22
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
2
Molar refractivity
86.27
TPSA
66.4
LogP / Solubility
WLOGP
3.69
MLOGP
3.26
XLogP3
3.3
Consensus LogP
3.42
Log S (ESOL)
-4.08
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.66
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.26
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)
-1.91
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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