CAS RN: 1227270-42-9
6-Phenyl-3-(4-azaindole)carboxylic acid
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.20250625 | 100mg / 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1227270-42-9
- Purity/Analytical Methods: >99.0%
1227270-42-9 / 6-phenyl-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
Basic Information
CAS
1227270-42-9
Multi CAS
No
Molecular Formula
C14H10N2O2
Molecular Weight
238.240000
Exact Mass
238.074228
SMILES
C1=CC=C(C=C1)C2=CC3=C(C(=CN3)C(=O)O)N=C2
InChI
InChI=1S/C14H10N2O2/c17-14(18)11-8-15-12-6-10(7-16-13(11)12)9-4-2-1-3-5-9/h1-8,15H,(H,17,18)
InChIKey
JPBYOYIPTUQITI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
15
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
68.49
TPSA
65.98
LogP / Solubility
WLOGP
2.93
MLOGP
2.58
XLogP3
2.2
Consensus LogP
2.57
Log S (ESOL)
-3.65
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.63
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.88
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.09
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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