[email protected]
CAS 1152527-60-0 6-Benzoxazolamine, 2-(1,1-dimethylethyl)- molecular structure lightbox
CAS RN: 1152527-60-0

6-Benzoxazolamine, 2-(1,1-dimethylethyl)-

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250916 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1152527-60-0
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1152527-60-0 / 2-tert-butyl-1,3-benzoxazol-6-amine

2-(tert-Butyl)benzo[d]oxazol-6-amine | 2-tert-butyl-1,3-benzoxazol-6-amine | MFCD10693485

Standard CAS: 1152527-60-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1152527-60-0
Multi CAS
No
Molecular Formula
C11H14N2O
Molecular Weight
190.240000
Exact Mass
190.110613
SMILES
CC(C)(C)C1=NC2=C(O1)C=C(C=C2)N
InChI
InChI=1S/C11H14N2O/c1-11(2,3)10-13-8-5-4-7(12)6-9(8)14-10/h4-6H,12H2,1-3H3
InChIKey
VMMMPJQSGONHLP-UHFFFAOYSA-N
Synonyms
2-(tert-Butyl)benzo[d]oxazol-6-amine 2-tert-butyl-1,3-benzoxazol-6-amine MFCD10693485 AKOS005200057 BS-47039

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.36
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
57.12
TPSA
52.05

LogP / Solubility

WLOGP
2.71
MLOGP
2.38
XLogP3
2.8
Consensus LogP
2.63
Log S (ESOL)
-3.2
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.07
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.14
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.96

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us