[email protected]
CAS 36505-84-7 Buspirone molecular structure lightbox
CAS RN: 36505-84-7

Buspirone

Product Availability

Choose a grade to view its available package options.

3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250709 1g In stock Inquiry
Batchno.20250208 250mg In stock Inquiry
Batchno.20250825 50mg In stock Inquiry
  • Product code: LINB924063
GET A QUOTE

36505-84-7 / 8-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione

Standard CAS: 36505-84-7 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
36505-84-7
Multi CAS
Yes
Molecular Formula
C21H31N5O2
Molecular Weight
385.500000
Exact Mass
385.247775
InChI
InChI=1S/C21H31N5O2/c27-18-16-21(6-1-2-7-21)17-19(28)26(18)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20/h5,8-9H,1-4,6-7,10-17H2
InChIKey
QWCRAEMEVRGPNT-UHFFFAOYSA-N

Physical Properties

Melting Point
201.5-202.5 201.5 - 202.5 °C
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
6
Fraction Csp3
0.71
Rotatable bonds
6
H-bond acceptors
6
Molar refractivity
106.77
TPSA
69.64

LogP / Solubility

WLOGP
2.09
MLOGP
1.86
XLogP3
2.6
Consensus LogP
2.18
Log S (ESOL)
-3.31
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.23
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.62
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.59

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

Customers Also Viewed

Get In Touch

Contact Us