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CAS 845620-48-6 5′-O-(4,4′-Dimethoxytrityl)-5-iodo-2′-deoxycytidine molecular structure lightbox
CAS RN: 845620-48-6

5′-O-(4,4′-Dimethoxytrityl)-5-iodo-2′-deoxycytidine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260220 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS845620-48-6
  • Purity/Analytical Methods: >99.0%
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845620-48-6 / 4-amino-1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-5-iodopyrimidin-2-one

Standard CAS: 845620-48-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
845620-48-6
Multi CAS
No
Molecular Formula
C30H30In3O6
Molecular Weight
655.500000
Exact Mass
655.117930
InChI
InChI=1S/C30H30IN3O6/c1-37-22-12-8-20(9-13-22)30(19-6-4-3-5-7-19,21-10-14-23(38-2)15-11-21)39-18-26-25(35)16-27(40-26)34-17-24(31)28(32)33-29(34)36/h3-15,17,25-27,35H,16,18H2,1-2H3,(H2,32,33,36)/t25-,26+,27+/m0/s1
InChIKey
DTWXKOLVMMYMNK-OYUWMTPXSA-N

Computed Properties

Structural Parameters

Heavy atom count
40
Aromatic heavy atom count
24
Fraction Csp3
0.27
Rotatable bonds
9
H-bond acceptors
9
H-bond donors
2
Molar refractivity
158.42
TPSA
118.06

LogP / Solubility

WLOGP
4.1
MLOGP
3.67
XLogP3
3.6
Consensus LogP
3.79
Log S (ESOL)
-6.34
Class (ESOL)
Insoluble
Log S (Ali)
-7.9
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.41
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)
-3.8

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6.5

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