[email protected]
CAS 914347-67-4 1-(5-BROMOPYRIMIDIN-2-YL)-3-PIPERIDINOL molecular structure lightbox
CAS RN: 914347-67-4

1-(5-BROMOPYRIMIDIN-2-YL)-3-PIPERIDINOL

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250518 25g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS914347-67-4
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

914347-67-4 / 1-(5-bromopyrimidin-2-yl)piperidin-3-ol

Standard CAS: 914347-67-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
914347-67-4
Multi CAS
No
Molecular Formula
BC9H12ORn3
Molecular Weight
258.120000
Exact Mass
257.016370
InChI
InChI=1S/C9H12BrN3O/c10-7-4-11-9(12-5-7)13-3-1-2-8(14)6-13/h4-5,8,14H,1-3,6H2
InChIKey
GRLXJCOKIJPPLA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
57.19
TPSA
49.25

LogP / Solubility

WLOGP
1.2
MLOGP
1.06
XLogP3
1.2
Consensus LogP
1.15
Log S (ESOL)
-2.45
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.54
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.45
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.44

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us