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CAS 1294481-82-5 (2R,3R,4R,5R)-5-(2-Amino-6-chloro-9H-purin-9-yl)-2-(((4-chlorobenzoyl)oxy)methyl)-4-fluoro-4-methyltetrahydrofuran-3-yl 4-chlorobenzoate molecular structure lightbox
CAS RN: 1294481-82-5

(2R,3R,4R,5R)-5-(2-Amino-6-chloro-9H-purin-9-yl)-2-(((4-chlorobenzoyl)oxy)methyl)-4-fluoro-4-methyltetrahydrofuran-3-yl 4-chlorobenzoate

Product Availability

Choose a grade to view its available package options.

6 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260112 100mg In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20250826 100mg / 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai 5-7 business days Inquiry
Batchno.20260130 1g In stock Shanghai, Tianjin, Wuhan Inquiry
Batchno.20250523 250mg In stock Shenzhen, Tianjin Inquiry
Batchno.20251202 25g Out of stock Inquiry
Batchno.20260115 5g Out of stock Inquiry
  • Product code: SSC-036460
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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: 1g, 5g
  • Available purity: ＞97%
  • 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 1294481-82-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry
5g ＞97% 0 Out of Stock Beijing Inquiry

1294481-82-5 / [(2R,3R,4R,5R)-5-(2-amino-6-chloropurin-9-yl)-3-(4-chlorobenzoyl)oxy-4-fluoro-4-methyloxolan-2-yl]methyl 4-chlorobenzoate

Standard CAS: 1294481-82-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1294481-82-5
Multi CAS
No
Molecular Formula
C25H19Cl3FN5O5
Molecular Weight
594.800000
Exact Mass
593.043580
SMILES
C[C@]1([C@@H]([C@H](O[C@H]1N2C=NC3=C2N=C(N=C3Cl)N)COC(=O)C4=CC=C(C=C4)Cl)OC(=O)C5=CC=C(C=C5)Cl)F
InChI
InChI=1S/C25H19Cl3FN5O5/c1-25(29)18(39-22(36)13-4-8-15(27)9-5-13)16(10-37-21(35)12-2-6-14(26)7-3-12)38-23(25)34-11-31-17-19(28)32-24(30)33-20(17)34/h2-9,11,16,18,23H,10H2,1H3,(H2,30,32,33)/t16-,18-,23-,25-/m1/s1
InChIKey
CWRGPCWFCOZJTQ-NMRNUDPRSA-N

Computed Properties

Structural Parameters

Heavy atom count
39
Aromatic heavy atom count
21
Fraction Csp3
0.24
Rotatable bonds
6
H-bond acceptors
10
H-bond donors
1
Molar refractivity
140.56
TPSA
131.45

LogP / Solubility

WLOGP
5.08
MLOGP
4.52
XLogP3
5.4
Consensus LogP
5
Log S (ESOL)
-6.73
Class (ESOL)
Insoluble
Log S (Ali)
-8.1
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.46
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.74

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Leadlikeness
No
Synthetic Accessibility
7

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 2 of 2 companies. For more detailed information, please visit ECHA C&L website.

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