[email protected]
CAS 802276-99-9 Cyclobutanol, 3-aMino-2,2,4,4-tetraMethyl-, trans- molecular structure lightbox
CAS RN: 802276-99-9

Cyclobutanol, 3-aMino-2,2,4,4-tetraMethyl-, trans-

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250101 100mg / 250mg / 500mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS802276-99-9
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

802276-99-9 / 3-amino-2,2,4,4-tetramethylcyclobutan-1-ol

Standard CAS: 802276-99-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
802276-99-9
Multi CAS
No
Molecular Formula
C8H17NO
Molecular Weight
143.230000
Exact Mass
143.131014
InChI
InChI=1S/C8H17NO/c1-7(2)5(9)8(3,4)6(7)10/h5-6,10H,9H2,1-4H3
InChIKey
ZXDMOZCIYUTLLK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
41.54
TPSA
46.25

LogP / Solubility

WLOGP
0.74
MLOGP
0.64
XLogP3
0.9
Consensus LogP
0.76
Log S (ESOL)
-1.19
Class (ESOL)
Soluble
Log S (Ali)
-1.27
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.21
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.07

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us