CAS RN: 81246-76-6
N4-BENZOYL-5′-O-DMT-CYTIDINE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251012 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS81246-76-6
- Purity/Analytical Methods: >99.0%
81246-76-6 / N-[1-[5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3,4-dihydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
Basic Information
CAS
81246-76-6
Multi CAS
Yes
Molecular Formula
C37H35N3O8
Molecular Weight
649.700000
Exact Mass
649.242415
InChI
InChI=1S/C37H35N3O8/c1-45-28-17-13-26(14-18-28)37(25-11-7-4-8-12-25,27-15-19-29(46-2)20-16-27)47-23-30-32(41)33(42)35(48-30)40-22-21-31(39-36(40)44)38-34(43)24-9-5-3-6-10-24/h3-22,30,32-33,35,41-42H,23H2,1-2H3,(H,38,39,43,44)
InChIKey
KCLOEKUQZJAMFG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
48
Aromatic heavy atom count
30
Fraction Csp3
0.22
Rotatable bonds
11
H-bond acceptors
10
H-bond donors
3
Molar refractivity
177.08
TPSA
141.37
LogP / Solubility
WLOGP
4.14
MLOGP
3.7
XLogP3
4.9
Consensus LogP
4.25
Log S (ESOL)
-6.21
Class (ESOL)
Insoluble
Log S (Ali)
-7.88
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.64
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.74
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7.5
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