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CAS 1384253-67-1 5′-O-(4,4′-Dimethoxytrityl)-2′-O-(2-methoxyethyl) adenosine molecular structure lightbox
CAS RN: 1384253-67-1

5′-O-(4,4′-Dimethoxytrityl)-2′-O-(2-methoxyethyl) adenosine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250308 50mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1384253-67-1
  • Purity/Analytical Methods: >99.0%
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1384253-67-1 / (2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-(2-methoxyethoxy)oxolan-3-ol

Standard CAS: 1384253-67-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1384253-67-1
Multi CAS
No
Molecular Formula
C34H37N5O7
Molecular Weight
627.700000
Exact Mass
627.269299
SMILES
COCCO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)N)COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)O
InChI
InChI=1S/C34H37N5O7/c1-41-17-18-44-30-29(40)27(46-33(30)39-21-38-28-31(35)36-20-37-32(28)39)19-45-34(22-7-5-4-6-8-22,23-9-13-25(42-2)14-10-23)24-11-15-26(43-3)16-12-24/h4-16,20-21,27,29-30,33,40H,17-19H2,1-3H3,(H2,35,36,37)/t27-,29-,30-,33-/m1/s1
InChIKey
JCXHIHKUTBGDNV-JHZZHVAFSA-N

Computed Properties

Structural Parameters

Heavy atom count
46
Aromatic heavy atom count
27
Fraction Csp3
0.32
Rotatable bonds
13
H-bond acceptors
12
H-bond donors
2
Molar refractivity
169.53
TPSA
145.23

LogP / Solubility

WLOGP
3.72
MLOGP
3.33
XLogP3
3.1
Consensus LogP
3.38
Log S (ESOL)
-5.65
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.4
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.39
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.9

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7.5

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