[email protected]
CAS 185398-21-4 2′-O-tert-butyldimethylsilyl-N4-benzoyl-cytidine molecular structure lightbox
CAS RN: 185398-21-4

2′-O-tert-butyldimethylsilyl-N4-benzoyl-cytidine

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250605 25mg / 100mg Out of stock 15 business days Inquiry
  • Product code: LINO929041
GET A QUOTE

185398-21-4 / 2-trimethylsilylethyl 2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-morpholin-4-ylbenzoate

Standard CAS: 185398-21-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
185398-21-4
Multi CAS
No
Molecular Formula
C22H31N3O6Si
Molecular Weight
461.600000
Exact Mass
461.198212
SMILES
COC1=CC(=NC(=N1)OC2=CC=CC(=C2C(=O)OCC[Si](C)(C)C)N3CCOCC3)OC
InChI
InChI=1S/C22H31N3O6Si/c1-27-18-15-19(28-2)24-22(23-18)31-17-8-6-7-16(25-9-11-29-12-10-25)20(17)21(26)30-13-14-32(3,4)5/h6-8,15H,9-14H2,1-5H3
InChIKey
CNJHCNDCMCBWHV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
12
Fraction Csp3
0.5
Rotatable bonds
9
H-bond acceptors
9
Molar refractivity
123.12
TPSA
92.24

LogP / Solubility

WLOGP
3.62
MLOGP
3.21
XLogP3
3.62
Consensus LogP
3.48
Log S (ESOL)
-4.66
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.96
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.74
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.97

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

Customers Also Viewed

Get In Touch

Contact Us