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CAS 4152-77-6 5’O-Tritylinosine molecular structure lightbox
CAS RN: 4152-77-6

5’O-Tritylinosine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251031 1mg / 5mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS4152-77-6
  • Purity/Analytical Methods: >99.0%
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4152-77-6 / 9-[3,4-dihydroxy-5-(trityloxymethyl)oxolan-2-yl]-5H-purin-6-one

Standard CAS: 4152-77-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4152-77-6
Multi CAS
Yes
Molecular Formula
C29H26N4O5
Molecular Weight
510.500000
Exact Mass
510.190320
InChI
InChI=1S/C29H26N4O5/c34-24-22(38-28(25(24)35)33-18-32-23-26(33)30-17-31-27(23)36)16-37-29(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,17-18,22,24-25,28,34-35H,16H2,(H,30,31,36)/t22-,24-,25-,28-/m1/s1
InChIKey
YEPZMZDCXFRHCL-ZYWWQZICSA-N

Computed Properties

Structural Parameters

Heavy atom count
38
Aromatic heavy atom count
18
Fraction Csp3
0.24
Rotatable bonds
7
H-bond acceptors
8
H-bond donors
2
Molar refractivity
140.89
TPSA
116.31

LogP / Solubility

WLOGP
2.12
MLOGP
1.9
XLogP3
2.3
Consensus LogP
2.11
Log S (ESOL)
-4.23
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.28
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.58
Class (SILICOS-IT)
Slightly soluble

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
No
Log Kp (skin permeation)
-4.33

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
8

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