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CAS 209216-23-9 Entecavir Monohydrate molecular structure lightbox
CAS RN: 209216-23-9

Entecavir Monohydrate

Product Availability

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15 package records15 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260404 10mg In stock Inquiry
Batchno.20250625 1g In stock Inquiry
Batchno.20260307 250mg In stock Inquiry
Batchno.20251120 50mg In stock Inquiry
Batchno.20260312 5g In stock Inquiry
Batchno.20251106 5mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260129 100mg In stock Shanghai, Wuhan, Chengdu Inquiry
Batchno.20251223 10g In stock Shanghai Inquiry
Batchno.20250314 10mg In stock Shanghai Inquiry
Batchno.20250103 1g In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250313 1mg In stock Shanghai Inquiry
Batchno.20250124 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260125 50mg In stock Shanghai Inquiry
Batchno.20250821 5g In stock Shanghai, Shenzhen Inquiry
Batchno.20250530 5mg In stock Shanghai Inquiry
  • Product code: SSC-098922
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.25g, 0.1g
  • Available purity: ≥98%
  • Inventory rows with stock: 1
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 209216-23-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥98% 1 In Stock Shanghai Inquiry
0.1g ≥98% 0 Out of Stock Shenzhen Inquiry

209216-23-9 / 2-amino-9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylidenecyclopentyl]-1H-purin-6-one;hydrate

Standard CAS: 209216-23-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
209216-23-9
Multi CAS
No
Molecular Formula
C12H17N5O4
Molecular Weight
295.290000
Exact Mass
295.128054
SMILES
C=C1[C@H](C[C@@H]([C@H]1CO)O)N2C=NC3=C2N=C(NC3=O)N.O
InChI
InChI=1S/C12H15N5O3.H2O/c1-5-6(3-18)8(19)2-7(5)17-4-14-9-10(17)15-12(13)16-11(9)20;/h4,6-8,18-19H,1-3H2,(H3,13,15,16,20);1H2/t6-,7-,8-;/m0./s1
InChIKey
YXPVEXCTPGULBZ-WQYNNSOESA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
9
Fraction Csp3
0.42
Rotatable bonds
2
H-bond acceptors
7
H-bond donors
4
Molar refractivity
75.55
TPSA
161.55

LogP / Solubility

WLOGP
-1.65
MLOGP
-1.44
XLogP3
-1.65
Consensus LogP
-1.58
Log S (ESOL)
-0.81
Class (ESOL)
Very soluble
Log S (Ali)
-0.79
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)
-5.69

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
4

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