[email protected]
CAS 5778-25-6 3,5,6,7-Tetrahydrospiro[4H-cyclopentapyrimidine-4,1′-cyclopentane]-2(1H)-thione molecular structure lightbox
CAS RN: 5778-25-6

3,5,6,7-Tetrahydrospiro[4H-cyclopentapyrimidine-4,1′-cyclopentane]-2(1H)-thione

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250108 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS5778-25-6
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

5778-25-6 / spiro[3,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidine-4,1'-cyclopentane]-2-thione

Standard CAS: 5778-25-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
5778-25-6
Multi CAS
No
Molecular Formula
C11H16N2S
Molecular Weight
208.330000
Exact Mass
208.103420
InChI
InChI=1S/C11H16N2S/c14-10-12-9-5-3-4-8(9)11(13-10)6-1-2-7-11/h1-7H2,(H2,12,13,14)
InChIKey
ZEZYTDGHOMCZJC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.73
H-bond acceptors
1
H-bond donors
2
Molar refractivity
60.95
TPSA
24.06

LogP / Solubility

WLOGP
2.21
MLOGP
1.95
XLogP3
1.2
Consensus LogP
1.79
Log S (ESOL)
-2.53
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.87
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.85
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.42

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
2.5

Customers Also Viewed

Get In Touch

Contact Us