[email protected]
CAS 54239-37-1 CIMATEROL molecular structure lightbox
CAS RN: 54239-37-1

CIMATEROL

Product Availability

Choose a grade to view its available package options.

3 package records2 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260613 25mg / 100mg / 250mg Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250806 5mg Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250923 5mg / 25mg / 100mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS54239-37-1
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

54239-37-1 / 2-amino-5-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzonitrile

Standard CAS: 54239-37-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
54239-37-1
Multi CAS
Yes
Molecular Formula
C12H17N3O
Molecular Weight
219.280000
Exact Mass
219.137162
InChI
InChI=1S/C12H17N3O/c1-8(2)15-7-12(16)9-3-4-11(14)10(5-9)6-13/h3-5,8,12,15-16H,7,14H2,1-2H3
InChIKey
BUXRLJCGHZZYNE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
3
Molar refractivity
63.67
TPSA
82.07

LogP / Solubility

WLOGP
1.17
MLOGP
1.03
XLogP3
1.7
Consensus LogP
1.3
Log S (ESOL)
-1.95
Class (ESOL)
Soluble
Log S (Ali)
-2.2
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.54
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.23

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

Customers Also Viewed

Get In Touch

Contact Us