![CAS 1445379-90-7 Cytidine, 4′-C-(chloromethyl)-2′-deoxy-3′-O-[(1,1-dimethylethyl)dimethylsilyl]-5′-O-[(1,1-dimethylethyl)diphenylsilyl]-2′-fluoro- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1445379-90-7.gif)
CAS RN: 1445379-90-7
Cytidine, 4′-C-(chloromethyl)-2′-deoxy-3′-O-[(1,1-dimethylethyl)dimethylsilyl]-5′-O-[(1,1-dimethylethyl)diphenylsilyl]-2′-fluoro-
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.20250318 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1445379-90-7
- Purity/Analytical Methods: >99.0%
1445379-90-7 / 4-amino-1-[(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(chloromethyl)-3-fluorooxolan-2-yl]pyrimidin-2-one
Basic Information
CAS
1445379-90-7
Multi CAS
No
Molecular Formula
C32H45ClFN3O4Si2
Molecular Weight
646.300000
Exact Mass
645.262116
SMILES
CC(C)(C)[Si](C)(C)O[C@H]1[C@H]([C@@H](O[C@@]1(CO[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C)CCl)N4C=CC(=NC4=O)N)F
InChI
InChI=1S/C32H45ClFN3O4Si2/c1-30(2,3)42(7,8)41-27-26(34)28(37-20-19-25(35)36-29(37)38)40-32(27,21-33)22-39-43(31(4,5)6,23-15-11-9-12-16-23)24-17-13-10-14-18-24/h9-20,26-28H,21-22H2,1-8H3,(H2,35,36,38)/t26-,27+,28-,32-/m1/s1
InChIKey
KECWVZJKGKVMCV-FFAHVWSXSA-N
Computed Properties
Structural Parameters
Heavy atom count
43
Aromatic heavy atom count
18
Fraction Csp3
0.5
Rotatable bonds
9
H-bond acceptors
7
H-bond donors
1
Molar refractivity
177.02
TPSA
88.6
LogP / Solubility
WLOGP
5.64
MLOGP
5.01
XLogP3
5.64
Consensus LogP
5.43
Log S (ESOL)
-7.11
Class (ESOL)
Insoluble
Log S (Ali)
-8.93
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.62
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)
-2.66
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6.5
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