[email protected]
CAS 898746-78-6 N-BOC-7-HYDROXYINDOLE molecular structure lightbox
CAS RN: 898746-78-6

N-BOC-7-HYDROXYINDOLE

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260129 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS898746-78-6
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

898746-78-6 / tert-butyl 7-hydroxyindole-1-carboxylate

Standard CAS: 898746-78-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
898746-78-6
Multi CAS
No
Molecular Formula
C13H15NO3
Molecular Weight
233.260000
Exact Mass
233.105193
InChI
InChI=1S/C13H15NO3/c1-13(2,3)17-12(16)14-8-7-9-5-4-6-10(15)11(9)14/h4-8,15H,1-3H3
InChIKey
AXJXBZZOZPYABA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
9
Fraction Csp3
0.31
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
65.23
TPSA
51.46

LogP / Solubility

WLOGP
3.13
MLOGP
2.76
XLogP3
2.9
Consensus LogP
2.93
Log S (ESOL)
-3.65
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.73
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.77
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)
-1.92

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us