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CAS 159414-99-0 5′-O-DMT-N4-Acetyl-2′-fluoro-2′-deoxy-cytidine 3′-CE phosphoramidite molecular structure lightbox
CAS RN: 159414-99-0

5′-O-DMT-N4-Acetyl-2′-fluoro-2′-deoxy-cytidine 3′-CE phosphoramidite

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250531 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai 15 business days Inquiry
  • Product code: SSC-067409
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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 159414-99-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

159414-99-0 / N-[1-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-3-fluorooxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide

Standard CAS: 159414-99-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
159414-99-0
Multi CAS
No
Molecular Formula
C41H49FN5O8P
Molecular Weight
789.800000
Exact Mass
789.330279
SMILES
CC(C)N(C(C)C)P(OCCC#N)O[C@@H]1[C@H](O[C@H]([C@@H]1F)N2C=CC(=NC2=O)NC(=O)C)COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC
InChI
InChI=1S/C41H49FN5O8P/c1-27(2)47(28(3)4)56(53-25-11-23-43)55-38-35(54-39(37(38)42)46-24-22-36(44-29(5)48)45-40(46)49)26-52-41(30-12-9-8-10-13-30,31-14-18-33(50-6)19-15-31)32-16-20-34(51-7)21-17-32/h8-10,12-22,24,27-28,35,37-39H,11,25-26H2,1-7H3,(H,44,45,48,49)/t35-,37-,38-,39-,56?/m1/s1
InChIKey
CNFKJHKDSRXNFL-UTXREMQHSA-N

Computed Properties

Structural Parameters

Heavy atom count
56
Aromatic heavy atom count
24
Fraction Csp3
0.41
Rotatable bonds
18
H-bond acceptors
12
H-bond donors
1
Molar refractivity
209.96
TPSA
146.4

LogP / Solubility

WLOGP
7.12
MLOGP
6.34
XLogP3
5.2
Consensus LogP
6.22
Log S (ESOL)
-8.35
Class (ESOL)
Insoluble
Log S (Ali)
-11.18
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.87
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)
-2.48

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
7.5

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.

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