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CAS 144089-96-3 N-(9-((2R,3R,4R,5R)-5-((Bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-3-fluoro-4-hydroxytetrahydrofuran-2-yl)-6-oxo-6,9-dihydro-1H-purin-2-yl)isobutyramide molecular structure lightbox
CAS RN: 144089-96-3

N-(9-((2R,3R,4R,5R)-5-((Bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-3-fluoro-4-hydroxytetrahydrofuran-2-yl)-6-oxo-6,9-dihydro-1H-purin-2-yl)isobutyramide

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250106 100mg / 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-055339
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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, 0.25g, 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 144089-96-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ＞97% 0 Out of Stock Beijing Inquiry
0.25g ＞97% 0 Out of Stock Hong Kong Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry
5g ＞97% 0 Out of Stock Beijing Inquiry

144089-96-3 / N-[9-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-fluoro-4-hydroxyoxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide

Standard CAS: 144089-96-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
144089-96-3
Multi CAS
No
Molecular Formula
C35H36FN5O7
Molecular Weight
657.700000
Exact Mass
657.259877
SMILES
CC(C)C(=O)NC1=NC2=C(C(=O)N1)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)O)F
InChI
InChI=1S/C35H36FN5O7/c1-20(2)31(43)39-34-38-30-28(32(44)40-34)37-19-41(30)33-27(36)29(42)26(48-33)18-47-35(21-8-6-5-7-9-21,22-10-14-24(45-3)15-11-22)23-12-16-25(46-4)17-13-23/h5-17,19-20,26-27,29,33,42H,18H2,1-4H3,(H2,38,39,40,43,44)/t26-,27-,29-,33-/m1/s1
InChIKey
QQQXVSXVBFQISZ-UNVYQVKTSA-N

Computed Properties

Structural Parameters

Heavy atom count
48
Aromatic heavy atom count
27
Fraction Csp3
0.31
Rotatable bonds
11
H-bond acceptors
10
H-bond donors
3
Molar refractivity
174.69
TPSA
149.82

LogP / Solubility

WLOGP
4.34
MLOGP
3.87
XLogP3
5
Consensus LogP
4.4
Log S (ESOL)
-6.34
Class (ESOL)
Insoluble
Log S (Ali)
-8.08
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.85
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)
-3.65

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7.5

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