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CAS 136834-21-4 Adenosine, N-benzoyl-5′-O-[bis(4-Methoxyphenyl)phenylMethyl]-2′-deoxy-2′-fluoro- molecular structure lightbox
CAS RN: 136834-21-4

Adenosine, N-benzoyl-5′-O-[bis(4-Methoxyphenyl)phenylMethyl]-2′-deoxy-2′-fluoro-

Product Availability

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7 package records7 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250722 100g In stock Shanghai Inquiry
Batchno.20260505 100mg In stock Shanghai Inquiry
Batchno.20250320 10g In stock Shanghai Inquiry
Batchno.20250910 1g In stock Shanghai Inquiry
Batchno.20250318 250mg In stock Shanghai, Tianjin Inquiry
Batchno.20260402 25g In stock Shanghai Inquiry
Batchno.20260418 5g In stock Shanghai Inquiry
  • Product code: SSC-045989
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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
  • 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 136834-21-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

136834-21-4 / N-[9-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-fluoro-4-hydroxyoxolan-2-yl]purin-6-yl]benzamide

Standard CAS: 136834-21-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
136834-21-4
Multi CAS
No
Molecular Formula
C38H34FN5O6
Molecular Weight
675.700000
Exact Mass
675.249312
SMILES
COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=NC6=C(N=CN=C65)NC(=O)C7=CC=CC=C7)F)O
InChI
InChI=1S/C38H34FN5O6/c1-47-28-17-13-26(14-18-28)38(25-11-7-4-8-12-25,27-15-19-29(48-2)20-16-27)49-21-30-33(45)31(39)37(50-30)44-23-42-32-34(40-22-41-35(32)44)43-36(46)24-9-5-3-6-10-24/h3-20,22-23,30-31,33,37,45H,21H2,1-2H3,(H,40,41,43,46)/t30-,31-,33-,37-/m1/s1
InChIKey
DDOOVEXTSRBCMU-VYUOYPLNSA-N

Computed Properties

Structural Parameters

Heavy atom count
50
Aromatic heavy atom count
33
Fraction Csp3
0.21
Rotatable bonds
11
H-bond acceptors
10
H-bond donors
2
Molar refractivity
182.79
TPSA
129.85

LogP / Solubility

WLOGP
5.7
MLOGP
5.07
XLogP3
5.5
Consensus LogP
5.42
Log S (ESOL)
-7.38
Class (ESOL)
Insoluble
Log S (Ali)
-9.22
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.1
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
-2.79

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.56
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
8

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