CAS RN: 91702-61-3
Acyclovir IMpurity C
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.20250405 | 10mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS91702-61-3
- Purity/Analytical Methods: >99.0%
91702-61-3 / 2-amino-7-(2-hydroxyethoxymethyl)-1H-purin-6-one
Basic Information
CAS
91702-61-3
Multi CAS
No
Molecular Formula
C8H11N5O3
Molecular Weight
225.200000
Exact Mass
225.086189
InChI
InChI=1S/C8H11N5O3/c9-8-11-6-5(7(15)12-8)13(3-10-6)4-16-2-1-14/h3,14H,1-2,4H2,(H3,9,11,12,15)
InChIKey
ZEJSSOYUBQMVHC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.38
Rotatable bonds
4
H-bond acceptors
7
H-bond donors
3
Molar refractivity
55.6
TPSA
119.05
LogP / Solubility
WLOGP
-1.33
MLOGP
-1.17
XLogP3
-1.9
Consensus LogP
-1.47
Log S (ESOL)
-0.55
Class (ESOL)
Very soluble
Log S (Ali)
-0.45
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.5
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)
-5.04
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
1.5
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