![CAS 1797832-75-7 Acyclovir Impurity I: 7,9′-[Ethylene-bis(oxymethylene)] Bis (2-amino-1-9-dihydro-6H-purin-6-one) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1797832-75-7.gif)
CAS RN: 1797832-75-7
Acyclovir Impurity I: 7,9′-[Ethylene-bis(oxymethylene)] Bis (2-amino-1-9-dihydro-6H-purin-6-one)
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.20260211 | 1mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1797832-75-7
- Purity/Analytical Methods: >99.0%
1797832-75-7 / 2-amino-9-[2-[(2-amino-6-oxo-1H-purin-7-yl)methoxy]ethoxymethyl]-1H-purin-6-one
Basic Information
CAS
1797832-75-7
Multi CAS
No
Molecular Formula
C14H16N10O4
Molecular Weight
388.340000
Exact Mass
388.135599
SMILES
C1=NC2=C(N1COCCOCN3C=NC4=C3C(=O)NC(=N4)N)N=C(NC2=O)N
InChI
InChI=1S/C14H16N10O4/c15-13-19-9-8(12(26)22-13)23(4-18-9)5-27-1-2-28-6-24-3-17-7-10(24)20-14(16)21-11(7)25/h3-4H,1-2,5-6H2,(H3,15,19,22,26)(H3,16,20,21,25)
InChIKey
ZKDRLENQIACTMV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
18
Fraction Csp3
0.29
Rotatable bonds
7
H-bond acceptors
12
H-bond donors
4
Molar refractivity
97.03
TPSA
197.64
LogP / Solubility
WLOGP
-1.63
MLOGP
-1.42
XLogP3
-2.7
Consensus LogP
-1.92
Log S (ESOL)
-1.23
Class (ESOL)
Soluble
Log S (Ali)
-1.56
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.67
Class (SILICOS-IT)
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)
-6.25
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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