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CAS 2241337-84-6 AT-527 molecular structure lightbox
CAS RN: 2241337-84-6

AT-527

Product Availability

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7 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260221 100mg In stock Shanghai Inquiry
Batchno.20250728 10mg In stock Shanghai Inquiry
Batchno.20250418 1mg In stock Shanghai Inquiry
Batchno.20250206 250mg Out of stock Inquiry
Batchno.20260324 25mg In stock Shanghai Inquiry
Batchno.20260531 50mg In stock Shanghai Inquiry
Batchno.20250717 5mg In stock Shanghai Inquiry
  • Product code: SSC-109244
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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: 0.1g
  • 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 2241337-84-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Beijing Inquiry

2241337-84-6 / bis(propan-2-yl (2S)-2-[[[(2R,3R,4R,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate);sulfuric acid

Standard CAS: 2241337-84-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2241337-84-6
Multi CAS
No
Molecular Formula
C48H68F2N14O18P2S
Molecular Weight
1261.100000
Exact Mass
1260.400003
SMILES
C[C@@H](C(=O)OC(C)C)N[P@](=O)(OC[C@@H]1[C@H]([C@@]([C@@H](O1)N2C=NC3=C(N=C(N=C32)N)NC)(C)F)O)OC4=CC=CC=C4.C[C@@H](C(=O)OC(C)C)N[P@](=O)(OC[C@@H]1[C@H]([C@@]([C@@H](O1)N2C=NC3=C(N=C(N=C32)N)NC)(C)F)O)OC4=CC=CC=C4.OS(=O)(=O)O
InChI
InChI=1S/2C24H33FN7O7P.H2O4S/c2*1-13(2)37-21(34)14(3)31-40(35,39-15-9-7-6-8-10-15)36-11-16-18(33)24(4,25)22(38-16)32-12-28-17-19(27-5)29-23(26)30-20(17)32;1-5(2,3)4/h2*6-10,12-14,16,18,22,33H,11H2,1-5H3,(H,31,35)(H3,26,27,29,30);(H2,1,2,3,4)/t2*14-,16+,18+,22+,24+,40-;/m00./s1
InChIKey
QIGYBLSWYRTXCA-NVSCJZCKSA-N

Computed Properties

Structural Parameters

Heavy atom count
85
Aromatic heavy atom count
30
Fraction Csp3
0.5
Rotatable bonds
22
H-bond acceptors
28
H-bond donors
10
Molar refractivity
300.51
TPSA
444.54

LogP / Solubility

WLOGP
4.49
MLOGP
4.08
XLogP3
4.49
Consensus LogP
4.35
Log S (ESOL)
-9.3
Class (ESOL)
Insoluble
Log S (Ali)
-13.14
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.22
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-7.23

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10

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