CAS RN: 878978-76-8
ML-098
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250428 | 5mg / 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS878978-76-8
- Purity/Analytical Methods: >99.0%
878978-76-8 / 1-[2-(2,5-dimethylphenoxy)ethyl]indole-3-carboxylic acid
Basic Information
CAS
878978-76-8
Multi CAS
No
Molecular Formula
C19H19NO3
Molecular Weight
309.400000
Exact Mass
309.136493
InChI
InChI=1S/C19H19NO3/c1-13-7-8-14(2)18(11-13)23-10-9-20-12-16(19(21)22)15-5-3-4-6-17(15)20/h3-8,11-12H,9-10H2,1-2H3,(H,21,22)
InChIKey
LILIWWFBJKBUCO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
15
Fraction Csp3
0.21
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
90.31
TPSA
51.46
LogP / Solubility
WLOGP
4.04
MLOGP
3.56
XLogP3
3.9
Consensus LogP
3.83
Log S (ESOL)
-4.45
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.01
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.62
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.74
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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![CAS 879072-59-0 PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBALDEHYDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/879072-59-0.gif)