CAS RN: 102146-07-6
8-CYCLOPENTYL-1,3-DIPROPYLXANTHINE
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260324 | 25mg / 50mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS102146-07-6
- Purity/Analytical Methods: >99.0%
102146-07-6 / 8-cyclopentyl-1,3-dipropyl-7H-purine-2,6-dione
8-Cyclopentyl-1,3-dipropylxanthine | DPCPX | 1,3-dipropyl-8-cyclopentylxanthine
Basic Information
CAS
102146-07-6
Multi CAS
Yes
Molecular Formula
C16H24N4O2
Molecular Weight
304.390000
Exact Mass
304.189926
SMILES
CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3CCCC3
InChI
InChI=1S/C16H24N4O2/c1-3-9-19-14-12(15(21)20(10-4-2)16(19)22)17-13(18-14)11-7-5-6-8-11/h11H,3-10H2,1-2H3,(H,17,18)
InChIKey
FFBDFADSZUINTG-UHFFFAOYSA-N
Synonyms
8-Cyclopentyl-1,3-dipropylxanthine
DPCPX
1,3-dipropyl-8-cyclopentylxanthine
1,3-Dpcpx
PD-116948
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
9
Fraction Csp3
0.69
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
1
Molar refractivity
86.4
TPSA
72.68
LogP / Solubility
WLOGP
2.36
MLOGP
2.09
XLogP3
4
Consensus LogP
2.82
Log S (ESOL)
-3.19
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.76
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.2
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.9
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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