CAS RN: 1260383-69-4
3-Iodo-5-azaindole-2-carboxylic acid ethyl ester
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250210 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1260383-69-4
- Purity/Analytical Methods: >99.0%
1260383-69-4 / ethyl 3-iodo-1H-pyrrolo[3,2-c]pyridine-2-carboxylate
Basic Information
CAS
1260383-69-4
Multi CAS
No
Molecular Formula
C10H9IN2O2
Molecular Weight
316.090000
Exact Mass
315.970880
SMILES
CCOC(=O)C1=C(C2=C(N1)C=CN=C2)I
InChI
InChI=1S/C10H9IN2O2/c1-2-15-10(14)9-8(11)6-5-12-4-3-7(6)13-9/h3-5,13H,2H2,1H3
InChIKey
FJRCNHTVRFQVPH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
64.77
TPSA
54.98
LogP / Solubility
WLOGP
2.34
MLOGP
2.08
XLogP3
2.2
Consensus LogP
2.21
Log S (ESOL)
-3.59
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.84
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.9
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.98
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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- CAS RN: 1260385-03-2
- Product Code: starshine_CAS1260385-03-2
- Purity/Analytical method: >99.0%
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