CAS RN: 1189728-07-1
N2-ACETYL-9-(2-ACETOXYETHOXYMETHYL-D4)GUANINE
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.20250221 | 1mg / 50mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1189728-07-1
- Purity/Analytical Methods: >99.0%
1189728-07-1 / [2-[(2-acetamido-6-oxo-1H-purin-9-yl)methoxy]-1,1,2,2-tetradeuterioethyl] acetate
Acyclovir-d4 N,O-Diacetate | Diacetylacyclovir-d4 | [2-[(2-acetamido-6-oxo-1H-purin-9-yl)methoxy]-1,1,2,2-tetradeuterioethyl] acetate
Basic Information
CAS
1189728-07-1
Multi CAS
Yes
Molecular Formula
C12H15N5O5
Molecular Weight
313.300000
Exact Mass
313.132426
SMILES
[2H]C([2H])(C([2H])([2H])OC(=O)C)OCN1C=NC2=C1N=C(NC2=O)NC(=O)C
InChI
InChI=1S/C12H15N5O5/c1-7(18)14-12-15-10-9(11(20)16-12)13-5-17(10)6-21-3-4-22-8(2)19/h5H,3-4,6H2,1-2H3,(H2,14,15,16,18,20)/i3D2,4D2
InChIKey
VBHLKZHSCMQLTI-KHORGVISSA-N
Synonyms
Acyclovir-d4 N,O-Diacetate
Diacetylacyclovir-d4
[2-[(2-acetamido-6-oxo-1H-purin-9-yl)methoxy]-1,1,2,2-tetradeuterioethyl] acetate
HY-137185S
CS-0202798
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
9
Fraction Csp3
0.42
Rotatable bonds
6
H-bond acceptors
8
H-bond donors
2
Molar refractivity
75.04
TPSA
128.2
LogP / Solubility
WLOGP
-0.38
MLOGP
-0.33
XLogP3
-1.2
Consensus LogP
-0.64
Log S (ESOL)
-1.42
Class (ESOL)
Soluble
Log S (Ali)
-1.82
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.07
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
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)
-4.88
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
Customers Also Viewed
-
2-Methylindazole-5-boronic acid pinacol ester
- CAS RN: 1189746-27-7
- Product Code: SSC-019188
-
-
6-Oxo-5-(trifluoromethyl)-1,6-dihydropyridine-3-carboxylic acid
- CAS RN: 1189757-60-5
- Product Code: SSC-019195
-
-
-
BI-409306
- CAS RN: 1189767-28-9
- Product Code: starshine_CAS1189767-28-9
- Purity/Analytical method: >99.0%
