[email protected]
CAS 105862-10-0 5′-O-Trityl-N4-benzoyl-2′-deoxycytidine molecular structure lightbox
CAS RN: 105862-10-0

5′-O-Trityl-N4-benzoyl-2′-deoxycytidine

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250515 25mg / 100mg Out of stock 15 business days Inquiry
  • Product code: LINO929043
GET A QUOTE

105862-10-0 / N-[1-[(2R,4S,5R)-4-hydroxy-5-(trityloxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide

N4-Benzoyl-2'-deoxy-5'-O-tritylcytidin | N-[1-[(2R,4S,5R)-4-hydroxy-5-(trityloxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide | Cytidine, N-benzoyl-2'-deoxy-5'-O-(triphenylmethyl)-

Standard CAS: 105862-10-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
105862-10-0
Multi CAS
Yes
Molecular Formula
C35H31N3O5
Molecular Weight
573.600000
Exact Mass
573.226371
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)NC(=O)C3=CC=CC=C3)COC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)O
InChI
InChI=1S/C35H31N3O5/c39-29-23-32(38-22-21-31(37-34(38)41)36-33(40)25-13-5-1-6-14-25)43-30(29)24-42-35(26-15-7-2-8-16-26,27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-22,29-30,32,39H,23-24H2,(H,36,37,40,41)/t29-,30+,32+/m0/s1
InChIKey
KRWWFHKPTRHVMD-XAGDYJCDSA-N
Synonyms
N4-Benzoyl-2'-deoxy-5'-O-tritylcytidin N-[1-[(2R,4S,5R)-4-hydroxy-5-(trityloxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide Cytidine, N-benzoyl-2'-deoxy-5'-O-(triphenylmethyl)- NSC614936 5'-O-dimethoxytrityl-N4-benzoyl-2'-deoxycytidine

Computed Properties

Structural Parameters

Heavy atom count
43
Aromatic heavy atom count
30
Fraction Csp3
0.17
Rotatable bonds
9
H-bond acceptors
7
H-bond donors
2
Molar refractivity
162.59
TPSA
102.68

LogP / Solubility

WLOGP
5.15
MLOGP
4.58
XLogP3
5.3
Consensus LogP
5.01
Log S (ESOL)
-6.57
Class (ESOL)
Insoluble
Log S (Ali)
-7.98
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.75
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)
-2.56

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
7

Customers Also Viewed

Get In Touch

Contact Us