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CAS 74405-40-6 5′-O-(4,4′-Dimethoxytrityl)-thymidine-3′-O-succinic acid molecular structure lightbox
CAS RN: 74405-40-6

5′-O-(4,4′-Dimethoxytrityl)-thymidine-3′-O-succinic acid

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260414 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS74405-40-6
  • Purity/Analytical Methods: >99.0%
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74405-40-6 / 4-[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-4-oxobutanoic acid

Standard CAS: 74405-40-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
74405-40-6
Multi CAS
Yes
Molecular Formula
C35H36N2O10
Molecular Weight
644.700000
Exact Mass
644.236995
InChI
InChI=1S/C35H36N2O10/c1-22-20-37(34(42)36-33(22)41)30-19-28(47-32(40)18-17-31(38)39)29(46-30)21-45-35(23-7-5-4-6-8-23,24-9-13-26(43-2)14-10-24)25-11-15-27(44-3)16-12-25/h4-16,20,28-30H,17-19,21H2,1-3H3,(H,38,39)(H,36,41,42)/t28-,29+,30+/m0/s1
InChIKey
ZGIVSINMMBIEBQ-FRXPANAUSA-N

Computed Properties

Structural Parameters

Heavy atom count
47
Aromatic heavy atom count
24
Fraction Csp3
0.31
Rotatable bonds
13
H-bond acceptors
10
H-bond donors
2
Molar refractivity
169.6
TPSA
155.38

LogP / Solubility

WLOGP
3.94
MLOGP
3.52
XLogP3
3.7
Consensus LogP
3.72
Log S (ESOL)
-5.84
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.69
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.68
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.86

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
6.5

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