CAS RN: 445012-77-1
N4-Banzoyl-5′-O-(4,4′-dimethoxytrityl)-5-methyl-2′-O,4′-C-methylenecytidine
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.20260306 | 100mg / 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS445012-77-1
- Purity/Analytical Methods: >99.0%
445012-77-1 / N-[1-[(1R,3R,4R,7S)-1-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-7-hydroxy-2,5-dioxabicyclo[2.2.1]heptan-3-yl]-5-methyl-2-oxopyrimidin-4-yl]benzamide
Basic Information
CAS
445012-77-1
Multi CAS
Yes
Molecular Formula
C39H37N3O8
Molecular Weight
675.700000
Exact Mass
675.258065
InChI
InChI=1S/C39H37N3O8/c1-25-22-42(37(45)41-34(25)40-35(44)26-10-6-4-7-11-26)36-32-33(43)38(50-36,23-48-32)24-49-39(27-12-8-5-9-13-27,28-14-18-30(46-2)19-15-28)29-16-20-31(47-3)21-17-29/h4-22,32-33,36,43H,23-24H2,1-3H3,(H,40,41,44,45)/t32-,33+,36-,38-/m1/s1
InChIKey
CTGWFRQUULNNIN-OSZGUBSQSA-N
Computed Properties
Structural Parameters
Heavy atom count
50
Aromatic heavy atom count
30
Fraction Csp3
0.26
Rotatable bonds
11
H-bond acceptors
10
H-bond donors
2
Molar refractivity
184.49
TPSA
130.37
LogP / Solubility
WLOGP
4.86
MLOGP
4.33
XLogP3
4.3
Consensus LogP
4.5
Log S (ESOL)
-6.81
Class (ESOL)
Insoluble
Log S (Ali)
-8.61
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.4
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
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)
-3.39
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10
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