[email protected]
CAS 81461-73-6 Buspirone EP Impurity B molecular structure lightbox
CAS RN: 81461-73-6

Buspirone EP Impurity B

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260511 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS81461-73-6
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

81461-73-6 / 8-pyrimidin-2-yl-8-aza-5-azoniaspiro[4.5]decane bromide

Standard CAS: 81461-73-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
81461-73-6
Multi CAS
No
Molecular Formula
BC12H19Rn4
Molecular Weight
299.210000
Exact Mass
298.079310
InChI
InChI=1S/C12H19N4.BrH/c1-2-9-16(8-1)10-6-15(7-11-16)12-13-4-3-5-14-12;/h3-5H,1-2,6-11H2;1H/q+1;/p-1
InChIKey
OYIPPQBBPVTVTR-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.67
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
63.21
TPSA
29.02

LogP / Solubility

WLOGP
-2.09
MLOGP
-1.83
XLogP3
-2.09
Consensus LogP
-2
Log S (ESOL)
-0.57
Class (ESOL)
Very soluble
Log S (Ali)
-0.51
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.01
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
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)
-6.03

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

Customers Also Viewed

Get In Touch

Contact Us