CAS RN: 329187-86-2
2′-Fluoro-2′-deoxy-ara-A-3′-phosphoramidite
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250828 | 10mg / 50mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS329187-86-2
- Purity/Analytical Methods: >99.0%
329187-86-2 / N-[9-[5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-3-fluorooxolan-2-yl]purin-6-yl]benzamide
Basic Information
CAS
329187-86-2
Multi CAS
Yes
Molecular Formula
C47FH51N7O7P
Molecular Weight
875.900000
Exact Mass
875.357162
InChI
InChI=1S/C47H51FN7O7P/c1-31(2)55(32(3)4)63(60-27-13-26-49)62-42-39(61-46(40(42)48)54-30-52-41-43(50-29-51-44(41)54)53-45(56)33-14-9-7-10-15-33)28-59-47(34-16-11-8-12-17-34,35-18-22-37(57-5)23-19-35)36-20-24-38(58-6)25-21-36/h7-12,14-25,29-32,39-40,42,46H,13,27-28H2,1-6H3,(H,50,51,53,56)/t39-,40+,42-,46-,63?/m1/s1
InChIKey
VCCMVPDSLHFCBB-SAHKUVNLSA-N
Computed Properties
Structural Parameters
Heavy atom count
63
Aromatic heavy atom count
33
Fraction Csp3
0.34
Rotatable bonds
19
H-bond acceptors
13
H-bond donors
1
Molar refractivity
236.87
TPSA
155.11
LogP / Solubility
WLOGP
9
MLOGP
8
XLogP3
7.5
Consensus LogP
8.17
Log S (ESOL)
-10.08
Class (ESOL)
Insoluble
Log S (Ali)
-13.24
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-15.1
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)
-1.67
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
8.5
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