CAS RN: 914348-96-2
1-Boc-7-methyl-3-formylindole
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.20260617 | 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS914348-96-2
- Purity/Analytical Methods: >99.0%
914348-96-2 / tert-butyl 3-formyl-7-methylindole-1-carboxylate
Basic Information
CAS
914348-96-2
Multi CAS
No
Molecular Formula
C15H17NO3
Molecular Weight
259.300000
Exact Mass
259.120843
InChI
InChI=1S/C15H17NO3/c1-10-6-5-7-12-11(9-17)8-16(13(10)12)14(18)19-15(2,3)4/h5-9H,1-4H3
InChIKey
FWPJROWZWYJFIG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
9
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
73.69
TPSA
48.3
LogP / Solubility
WLOGP
3.55
MLOGP
3.13
XLogP3
3.1
Consensus LogP
3.26
Log S (ESOL)
-3.97
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.25
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.41
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.78
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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