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CAS 1185179-33-2 ACYCLOVIR-D4 molecular structure lightbox
CAS RN: 1185179-33-2

ACYCLOVIR-D4

Product Availability

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250219 1mg In stock Inquiry
Batchno.20260611 5mg In stock Inquiry
  • Product code: SSC-018333
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.001g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1185179-33-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.001g ≥95% 0 Out of Stock Beijing Inquiry

1185179-33-2 / 2-amino-9-[(1,1,2,2-tetradeuterio-2-hydroxyethoxy)methyl]-1H-purin-6-one

Acyclovir-d4 | 2-amino-9-[(1,1,2,2-tetradeuterio-2-hydroxyethoxy)methyl]-1H-purin-6-one | Aciclovir-D4

Standard CAS: 1185179-33-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1185179-33-2
Multi CAS
Yes
Molecular Formula
C8H11N5O3
Molecular Weight
229.230000
Exact Mass
229.111296
SMILES
[2H]C([2H])(C([2H])([2H])OCN1C=NC2=C1N=C(NC2=O)N)O
InChI
InChI=1S/C8H11N5O3/c9-8-11-6-5(7(15)12-8)10-3-13(6)4-16-2-1-14/h3,14H,1-2,4H2,(H3,9,11,12,15)/i1D2,2D2
InChIKey
MKUXAQIIEYXACX-LNLMKGTHSA-N
Synonyms
Acyclovir-d4 2-amino-9-[(1,1,2,2-tetradeuterio-2-hydroxyethoxy)methyl]-1H-purin-6-one Aciclovir-D4 Aciclovir-d4; Acyclovir-D4; 2-Amino-9-[(1,1,2,2-tetradeuterio-2-hydroxyethoxy)methyl]purin-6-ol orb2299991

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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