CAS RN: 914349-10-3
1-Boc-3-hydroxymethyl-7-methylindole
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.20251212 | 100g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS914349-10-3
- Purity/Analytical Methods: >99.0%
914349-10-3 / tert-butyl 3-(hydroxymethyl)-7-methylindole-1-carboxylate
Basic Information
CAS
914349-10-3
Multi CAS
No
Molecular Formula
C15H19NO3
Molecular Weight
261.320000
Exact Mass
261.136493
InChI
InChI=1S/C15H19NO3/c1-10-6-5-7-12-11(9-17)8-16(13(10)12)14(18)19-15(2,3)4/h5-8,17H,9H2,1-4H3
InChIKey
MVJAYBRLSHLWPC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
9
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
74.23
TPSA
51.46
LogP / Solubility
WLOGP
3.23
MLOGP
2.85
XLogP3
2.7
Consensus LogP
2.93
Log S (ESOL)
-3.78
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.03
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.16
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)
-2.02
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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