[email protected]
CAS 35873-49-5 8-CYCLOPENTYL-1,3-DIMETHYLXANTHINE molecular structure lightbox
CAS RN: 35873-49-5

8-CYCLOPENTYL-1,3-DIMETHYLXANTHINE

Product Availability

Choose a grade to view its available package options.

6 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250829 100mg In stock Shanghai, Shandong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260210 100mg In stock Shanghai Inquiry
Batchno.20250613 250mg In stock Shanghai Inquiry
Batchno.20260427 25mg In stock Shanghai Inquiry
Batchno.20250706 50mg In stock Shanghai Inquiry
Batchno.20260414 5mg In stock Shanghai Inquiry
  • Product code: starshine_CAS35873-49-5
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

35873-49-5 / 8-cyclopentyl-1,3-dimethyl-7H-purine-2,6-dione

Standard CAS: 35873-49-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
35873-49-5
Multi CAS
Yes
Molecular Formula
C12H16N4O2
Molecular Weight
248.280000
Exact Mass
248.127326
InChI
InChI=1S/C12H16N4O2/c1-15-10-8(11(17)16(2)12(15)18)13-9(14-10)7-5-3-4-6-7/h7H,3-6H2,1-2H3,(H,13,14)
InChIKey
SCVHFRLUNIOSGI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
9
Fraction Csp3
0.58
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
67.78
TPSA
72.68

LogP / Solubility

WLOGP
0.62
MLOGP
0.55
XLogP3
1.6
Consensus LogP
0.92
Log S (ESOL)
-2.07
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.04
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.91
Class (SILICOS-IT)
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)
-3.8

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us