[email protected]
CAS 69504-07-0 2′-O-tert-Butyldimethylsilyl-N6-Benzoyl-adenosine molecular structure lightbox
CAS RN: 69504-07-0

2′-O-tert-Butyldimethylsilyl-N6-Benzoyl-adenosine

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250913 250mg / 1g / 5g Out of stock 15 business days Inquiry
  • Product code: LINO929948
GET A QUOTE

69504-07-0 / N-[9-[(2R,3R,4R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]benzamide

Standard CAS: 69504-07-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
69504-07-0
Multi CAS
Yes
Molecular Formula
C23H31N5O5Si
Molecular Weight
485.600000
Exact Mass
485.209446
InChI
InChI=1S/C23H31N5O5Si/c1-23(2,3)34(4,5)33-18-17(30)15(11-29)32-22(18)28-13-26-16-19(24-12-25-20(16)28)27-21(31)14-9-7-6-8-10-14/h6-10,12-13,15,17-18,22,29-30H,11H2,1-5H3,(H,24,25,27,31)/t15-,17-,18-,22-/m1/s1
InChIKey
XZQPQOSSEMTXOW-UVLLPENVSA-N

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
15
Fraction Csp3
0.48
Rotatable bonds
6
H-bond acceptors
9
H-bond donors
3
Molar refractivity
128.79
TPSA
131.62

LogP / Solubility

WLOGP
2.72
MLOGP
2.43
XLogP3
2.72
Consensus LogP
2.62
Log S (ESOL)
-4.49
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.51
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.79
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.75

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5

Customers Also Viewed

Get In Touch

Contact Us