CAS RN: 630110-71-3
6-BENZYLOXY-3-FORMYLINDOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
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.20250704 | 100mg / 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS630110-71-3
- Purity/Analytical Methods: >99.0%
630110-71-3 / tert-butyl 3-formyl-6-phenylmethoxyindole-1-carboxylate
Basic Information
CAS
630110-71-3
Multi CAS
No
Molecular Formula
C21H21NO4
Molecular Weight
351.400000
Exact Mass
351.147058
InChI
InChI=1S/C21H21NO4/c1-21(2,3)26-20(24)22-12-16(13-23)18-10-9-17(11-19(18)22)25-14-15-7-5-4-6-8-15/h4-13H,14H2,1-3H3
InChIKey
BIGAKQBLDWFYEU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
15
Fraction Csp3
0.24
Rotatable bonds
4
H-bond acceptors
5
Molar refractivity
99.73
TPSA
57.53
LogP / Solubility
WLOGP
4.82
MLOGP
4.26
XLogP3
4.2
Consensus LogP
4.43
Log S (ESOL)
-5.22
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.92
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.42
Class (SILICOS-IT)
Insoluble
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
Yes
Log Kp (skin permeation)
-1.44
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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