CAS RN: 72877-50-0
neplanocin A
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251101 | 1mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS72877-50-0
- Purity/Analytical Methods: >99.0%
72877-50-0 / (1S,2R,5R)-5-(6-aminopurin-9-yl)-3-(hydroxymethyl)cyclopent-3-ene-1,2-diol
Basic Information
CAS
72877-50-0
Multi CAS
Yes
Molecular Formula
C11H13N5O3
Molecular Weight
263.250000
Exact Mass
263.101839
InChI
InChI=1S/C11H13N5O3/c12-10-7-11(14-3-13-10)16(4-15-7)6-1-5(2-17)8(18)9(6)19/h1,3-4,6,8-9,17-19H,2H2,(H2,12,13,14)/t6-,8-,9+/m1/s1
InChIKey
XUGWUUDOWNZAGW-VDAHYXPESA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
9
Fraction Csp3
0.36
Rotatable bonds
2
H-bond acceptors
8
H-bond donors
4
Molar refractivity
65.95
TPSA
130.31
LogP / Solubility
WLOGP
-1.4
MLOGP
-1.22
XLogP3
-2
Consensus LogP
-1.54
Log S (ESOL)
-0.81
Class (ESOL)
Very soluble
Log S (Ali)
-0.71
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.45
Class (SILICOS-IT)
Very 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)
-5.32
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3
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